CID 79879484

2428406-10-2

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]+ 160.112076 132.3
[M+Na]+ 182.094018 138.5
[M-H]- 158.097524 136.0
[M+NH4]+ 177.138623 144.9
[M+K]+ 198.067958 137.6
[M+H-H2O]+ 142.102060 120.7
[M+HCOO]- 204.103001 152.0
[M+CH3COO]- 218.118651 178.7
[M+Na-2H]- 180.079466 138.2
[M]+ 159.10425142 137.1
[M]- 159.10534858 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.