CID 65069335

2375267-56-2

Structural Information

Molecular Formula
C18H19NO2
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C18H19NO2/c20-17(21)11-14-12-19(13-14)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,20,21)
InChIKey
VVSNSDCDDYYSOI-UHFFFAOYSA-N
Compound name
2-(1-benzhydrylazetidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

281.14157 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 164.8
[M+Na]+ 304.13079 168.2
[M-H]- 280.13429 170.6
[M+NH4]+ 299.17539 171.3
[M+K]+ 320.10473 167.2
[M+H-H2O]+ 264.13883 150.3
[M+HCOO]- 326.13977 181.8
[M+CH3COO]- 340.15542 201.3
[M+Na-2H]- 302.11624 166.8
[M]+ 281.14102 170.8
[M]- 281.14212 170.8
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