CID 16780437

3-[(2-methylphenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC=CC=C1CC2CNC2
InChI
InChI=1S/C11H15N/c1-9-4-2-3-5-11(9)6-10-7-12-8-10/h2-5,10,12H,6-8H2,1H3
InChIKey
CFZCCIGTDBZXBS-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

161.12045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 133.0
[M+Na]+ 184.10967 138.9
[M-H]- 160.11317 136.7
[M+NH4]+ 179.15427 145.5
[M+K]+ 200.08361 138.5
[M+H-H2O]+ 144.11771 121.4
[M+HCOO]- 206.11865 152.6
[M+CH3COO]- 220.13430 180.2
[M+Na-2H]- 182.09512 138.9
[M]+ 161.11990 138.6
[M]- 161.12100 138.6
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

patents stripe