CID 28791466

25227-37-6

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1CC2=CC=CC=C2/C(=C/C(=O)O)/C1

InChI

InChI=1S/C12H12O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7-8H,3,5-6H2,(H,13,14)/b10-8+

InChIKey

BZGRNCRWQYXYAG-CSKARUKUSA-N

Compound name

(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.08372 Da
Monoisotopic Mass: 2.3
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]+	189.09100	139.2
[M+Na]+	211.07294	145.5
[M-H]-	187.07644	141.9
[M+NH4]+	206.11754	159.0
[M+K]+	227.04688	141.9
[M+H-H2O]+	171.08098	133.6
[M+HCOO]-	233.08192	158.1
[M+CH3COO]-	247.09757	179.6
[M+Na-2H]-	209.05839	144.8
[M]+	188.08317	135.3
[M]-	188.08427	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe