CID 200077

Trans-3-imino-1-(m-tolyl)hexahydro-3h-oxazolo(3,4-a)pyridine hydrobromide

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1=CC(=CC=C1)[C@@H]2[C@H]3CCCCN3C(=N)O2
InChI
InChI=1S/C14H18N2O/c1-10-5-4-6-11(9-10)13-12-7-2-3-8-16(12)14(15)17-13/h4-6,9,12-13,15H,2-3,7-8H2,1H3/t12-,13-/m1/s1
InChIKey
HKKWTWGTALDJGG-CHWSQXEVSA-N
Compound name
(1R,8aR)-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

230.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 152.6
[M+Na]+ 253.131118 158.8
[M-H]- 229.134624 158.9
[M+NH4]+ 248.175723 170.4
[M+K]+ 269.105058 155.6
[M+H-H2O]+ 213.139160 145.1
[M+HCOO]- 275.140101 171.0
[M+CH3COO]- 289.155751 164.3
[M+Na-2H]- 251.116566 155.9
[M]+ 230.14135142 147.8
[M]- 230.14244858 147.8
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.