CID 13082642

3-cyclopropylbut-2-enoic acid

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C/C(=C\C(=O)O)/C1CC1

InChI

InChI=1S/C7H10O2/c1-5(4-7(8)9)6-2-3-6/h4,6H,2-3H2,1H3,(H,8,9)/b5-4+

InChIKey

VADJFJIXYOTWIQ-SNAWJCMRSA-N

Compound name

(E)-3-cyclopropylbut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 126.06808 Da
Monoisotopic Mass: 1.8
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]+	127.07536	127.3
[M+Na]+	149.05730	138.3
[M+NH4]+	144.10190	135.4
[M+K]+	165.03124	135.5
[M-H]-	125.06080	133.8
[M+Na-2H]-	147.04275	133.6
[M]+	126.06753	131.5
[M]-	126.06863	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe