CID 3058494

Cis-3-methylimino-1-(m-tolyl)hexahydro-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1=CC(=CC=C1)[C@H]2[C@H]3CCCCN3C(=NC)O2
InChI
InChI=1S/C15H20N2O/c1-11-6-5-7-12(10-11)14-13-8-3-4-9-17(13)15(16-2)18-14/h5-7,10,13-14H,3-4,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKey
SCNNXGVJNHRCCK-KGLIPLIRSA-N
Compound name
(1S,8aR)-N-methyl-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 157.1
[M+Na]+ 267.146778 163.4
[M-H]- 243.150284 164.7
[M+NH4]+ 262.191383 175.2
[M+K]+ 283.120718 160.9
[M+H-H2O]+ 227.154820 149.2
[M+HCOO]- 289.155761 176.7
[M+CH3COO]- 303.171411 169.1
[M+Na-2H]- 265.132226 160.3
[M]+ 244.15701142 154.4
[M]- 244.15810858 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.