CID 57415849

1143525-35-2

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC1(CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO4/c1-13(11(15)16)8-14(9-13)12(17)18-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,16)
InChIKey
YLHQFJUQCHLXKT-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

249.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 156.4
[M+Na]+ 272.08933 161.4
[M-H]- 248.09283 160.2
[M+NH4]+ 267.13393 166.7
[M+K]+ 288.06327 163.0
[M+H-H2O]+ 232.09737 144.6
[M+HCOO]- 294.09831 174.2
[M+CH3COO]- 308.11396 192.3
[M+Na-2H]- 270.07478 159.5
[M]+ 249.09956 165.6
[M]- 249.10066 165.6
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