CID 176241943

2359065-54-4

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CC=CC(=C2)CN
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-13(10-17)12-6-4-5-11(7-12)8-16/h4-7,13H,8-10,16H2,1-3H3
InChIKey
FLNRVLZPDRLPGB-UHFFFAOYSA-N
Compound name
tert-butyl 3-[3-(aminomethyl)phenyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 165.4
[M+Na]+ 285.157338 169.8
[M-H]- 261.160844 169.8
[M+NH4]+ 280.201943 174.0
[M+K]+ 301.131278 170.7
[M+H-H2O]+ 245.165380 152.3
[M+HCOO]- 307.166321 183.2
[M+CH3COO]- 321.181971 202.0
[M+Na-2H]- 283.142786 167.1
[M]+ 262.16757142 173.3
[M]- 262.16866858 173.3
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