CID 165941542

1-[2-(aminomethyl)-1-benzylazetidin-2-yl]methanamine

Structural Information

Molecular Formula
C12H19N3
SMILES
C1CN(C1(CN)CN)CC2=CC=CC=C2
InChI
InChI=1S/C12H19N3/c13-9-12(10-14)6-7-15(12)8-11-4-2-1-3-5-11/h1-5H,6-10,13-14H2
InChIKey
NKDUXCHQVLBPKQ-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)-1-benzylazetidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 149.4
[M+Na]+ 228.14712 155.5
[M+NH4]+ 223.19172 154.9
[M+K]+ 244.12106 149.0
[M-H]- 204.15062 150.6
[M+Na-2H]- 226.13257 155.0
[M]+ 205.15735 149.4
[M]- 205.15845 149.4
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.