CID 382952

Nsc670856

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1CN(C1C(=O)O)CC2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C15H15NO3/c17-14-11(9-16-8-7-13(16)15(18)19)6-5-10-3-1-2-4-12(10)14/h1-6,13,17H,7-9H2,(H,18,19)
InChIKey
SREMGXWJXHKHEQ-UHFFFAOYSA-N
Compound name
1-[(1-hydroxynaphthalen-2-yl)methyl]azetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 156.3
[M+Na]+ 280.09442 162.3
[M-H]- 256.09792 159.6
[M+NH4]+ 275.13902 165.0
[M+K]+ 296.06836 161.4
[M+H-H2O]+ 240.10246 143.5
[M+HCOO]- 302.10340 172.3
[M+CH3COO]- 316.11905 195.5
[M+Na-2H]- 278.07987 159.8
[M]+ 257.10465 163.7
[M]- 257.10575 163.7
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.