CID 5280649

Crotonobetaine

Structural Information

Molecular Formula

C₇H₁₄NO₂

SMILES

C[N+](C)(C)C/C=C/C(=O)O

InChI

InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/p+1/b5-4+

InChIKey

GUYHPGUANSLONG-SNAWJCMRSA-O

Compound name

[(E)-3-carboxyprop-2-enyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 422
Patents: 144.10245 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]+	145.10973	129.1
[M+Na]+	167.09167	140.1
[M+NH4]+	162.13627	137.2
[M+K]+	183.06561	136.5
[M-H]-	143.09517	129.6
[M+Na-2H]-	165.07712	133.4
[M]+	144.10190	130.9
[M]-	144.10300	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe