CID 200058

Cis-3-imino-1-(p-tolyl)hexahydro-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCCN3C(=N)O2
InChI
InChI=1S/C14H18N2O/c1-10-5-7-11(8-6-10)13-12-4-2-3-9-16(12)14(15)17-13/h5-8,12-13,15H,2-4,9H2,1H3/t12-,13+/m0/s1
InChIKey
PKJSEDWXGAJASR-QWHCGFSZSA-N
Compound name
(1R,8aS)-1-(4-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]+ 231.14918 152.6
[M+Na]+ 253.13112 158.8
[M-H]- 229.13462 158.9
[M+NH4]+ 248.17572 170.4
[M+K]+ 269.10506 155.6
[M+H-H2O]+ 213.13916 145.1
[M+HCOO]- 275.14010 171.0
[M+CH3COO]- 289.15575 164.3
[M+Na-2H]- 251.11657 155.9
[M]+ 230.14135 147.8
[M]- 230.14245 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.