CID 81503

(bromomethyl)cyclopropane

Structural Information

Molecular Formula

SMILES

C1CC1CBr

InChI

InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2

InChIKey

AEILLAXRDHDKDY-UHFFFAOYSA-N

Compound name

bromomethylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 20888
Patents: 133.97311 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]+	134.98039	120.6
[M+Na]+	156.96233	134.1
[M-H]-	132.96583	128.2
[M+NH4]+	152.00693	141.4
[M+K]+	172.93627	124.2
[M+H-H2O]+	116.97037	120.9
[M+HCOO]-	178.97131	143.0
[M+CH3COO]-	192.98696	174.9
[M+Na-2H]-	154.94778	130.3
[M]+	133.97256	139.8
[M]-	133.97366	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe