CID 33101

3-hydroxypropyl prop-2-enoate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C=CC(=O)OCCCO

InChI

InChI=1S/C6H10O3/c1-2-6(8)9-5-3-4-7/h2,7H,1,3-5H2

InChIKey

QZPSOSOOLFHYRR-UHFFFAOYSA-N

Compound name

3-hydroxypropyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 92066
Patents: 130.06299 Da
Monoisotopic Mass: 0.8
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]+	131.070266	125.9
[M+Na]+	153.052208	133.1
[M-H]-	129.055714	124.9
[M+NH4]+	148.096813	147.3
[M+K]+	169.026148	132.6
[M+H-H2O]+	113.060250	121.6
[M+HCOO]-	175.061191	148.3
[M+CH3COO]-	189.076841	168.7
[M+Na-2H]-	151.037656	131.3
[M]+	130.06244142	127.5
[M]-	130.06353858	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe