CID 79879484

3-[(2-methylphenyl)methylidene]azetidinehydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
CC1=CC=CC=C1C=C2CNC2
InChI
InChI=1S/C11H13N/c1-9-4-2-3-5-11(9)6-10-7-12-8-10/h2-6,12H,7-8H2,1H3
InChIKey
CWINXBUVJZWCOV-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)methylidene]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 132.3
[M+Na]+ 182.09402 138.5
[M-H]- 158.09752 136.0
[M+NH4]+ 177.13862 144.9
[M+K]+ 198.06796 137.6
[M+H-H2O]+ 142.10206 120.7
[M+HCOO]- 204.10300 152.0
[M+CH3COO]- 218.11865 178.7
[M+Na-2H]- 180.07947 138.2
[M]+ 159.10425 137.1
[M]- 159.10535 137.1
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.