CID 2735440

1-(diphenylmethyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C17H17NO2
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H17NO2/c19-17(20)15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)
InChIKey
BRSCYENHLCPOAU-UHFFFAOYSA-N
Compound name
1-benzhydrylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

267.12592 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.2
[M+Na]+ 290.11514 164.0
[M-H]- 266.11864 166.2
[M+NH4]+ 285.15974 167.3
[M+K]+ 306.08908 163.2
[M+H-H2O]+ 250.12318 145.9
[M+HCOO]- 312.12412 177.5
[M+CH3COO]- 326.13977 198.4
[M+Na-2H]- 288.10059 162.7
[M]+ 267.12537 165.8
[M]- 267.12647 165.8
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