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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.112476	156.3
[M+Na]+	280.094418	162.3
[M-H]-	256.097924	159.6
[M+NH4]+	275.139023	165.0
[M+K]+	296.068358	161.4
[M+H-H2O]+	240.102460	143.5
[M+HCOO]-	302.103401	172.3
[M+CH3COO]-	316.119051	195.5
[M+Na-2H]-	278.079866	159.8
[M]+	257.10465142	163.7
[M]-	257.10574858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.