CID 11040780

21014-26-6

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CCOC(=O)/C=C/C1CC1

InChI

InChI=1S/C8H12O2/c1-2-10-8(9)6-5-7-3-4-7/h5-7H,2-4H2,1H3/b6-5+

InChIKey

HXBCPBSHJYHXQV-AATRIKPKSA-N

Compound name

ethyl (E)-3-cyclopropylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 140.08372 Da
Monoisotopic Mass: 1.9
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]+	141.090996	131.0
[M+Na]+	163.072938	139.8
[M-H]-	139.076444	135.6
[M+NH4]+	158.117543	147.9
[M+K]+	179.046878	138.0
[M+H-H2O]+	123.080980	125.2
[M+HCOO]-	185.081921	154.4
[M+CH3COO]-	199.097571	176.9
[M+Na-2H]-	161.058386	136.4
[M]+	140.08317142	134.8
[M]-	140.08426858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe