CID 3017746

67209-77-2

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC1=C(CCC1)C(=O)O

InChI

InChI=1S/C7H10O2/c1-5-3-2-4-6(5)7(8)9/h2-4H2,1H3,(H,8,9)

InChIKey

QXKNDUSXGFIHHU-UHFFFAOYSA-N

Compound name

2-methylcyclopentene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 126.06808 Da
Monoisotopic Mass: 1.1
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]+	127.07536	124.8
[M+Na]+	149.05730	132.4
[M-H]-	125.06080	127.3
[M+NH4]+	144.10190	148.1
[M+K]+	165.03124	131.4
[M+H-H2O]+	109.06534	120.3
[M+HCOO]-	171.06628	147.4
[M+CH3COO]-	185.08193	168.2
[M+Na-2H]-	147.04275	128.4
[M]+	126.06753	123.2
[M]-	126.06863	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe