CID 21086015

1350746-42-7

Structural Information

Molecular Formula

SMILES

C1CC1(C#N)Br

InChI

InChI=1S/C4H4BrN/c5-4(3-6)1-2-4/h1-2H2

InChIKey

ZJLUXBWDBMMBMZ-UHFFFAOYSA-N

Compound name

1-bromocyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 144.95271 Da
Monoisotopic Mass: 1.1
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]+	145.95999	117.3
[M+Na]+	167.94193	121.9
[M+NH4]+	162.98653	122.1
[M+K]+	183.91587	119.3
[M-H]-	143.94543	117.3
[M+Na-2H]-	165.92738	122.7
[M]+	144.95216	117.3
[M]-	144.95326	117.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe