CID 642985

Methyl 2-(cyclopropylmethyl)prop-2-enoate

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

COC(=O)C(=C)CC1CC1

InChI

InChI=1S/C8H12O2/c1-6(8(9)10-2)5-7-3-4-7/h7H,1,3-5H2,2H3

InChIKey

VNQMVNNXQMHOKA-UHFFFAOYSA-N

Compound name

methyl 2-(cyclopropylmethyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 140.08372 Da
Monoisotopic Mass: 2.1
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]+	141.09100	130.1
[M+Na]+	163.07294	138.7
[M-H]-	139.07644	134.8
[M+NH4]+	158.11754	146.9
[M+K]+	179.04688	137.2
[M+H-H2O]+	123.08098	124.5
[M+HCOO]-	185.08192	152.6
[M+CH3COO]-	199.09757	178.4
[M+Na-2H]-	161.05839	134.4
[M]+	140.08317	133.5
[M]-	140.08427	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe