CID 15061725

Bromomethyl propanoate

Structural Information

Molecular Formula

SMILES

CCC(=O)OCBr

InChI

InChI=1S/C4H7BrO2/c1-2-4(6)7-3-5/h2-3H2,1H3

InChIKey

YXASHNSJWVCWQQ-UHFFFAOYSA-N

Compound name

bromomethyl propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 165.96294 Da
Monoisotopic Mass: 1.7
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]+	166.97022	125.6
[M+Na]+	188.95216	127.2
[M+NH4]+	183.99676	130.1
[M+K]+	204.92610	128.4
[M-H]-	164.95566	123.7
[M+Na-2H]-	186.93761	127.0
[M]+	165.96239	123.9
[M]-	165.96349	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe