CID 11735609

1-bromocyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C7H10BrN
SMILES
C1CCC(CC1)(C#N)Br
InChI
InChI=1S/C7H10BrN/c8-7(6-9)4-2-1-3-5-7/h1-5H2
InChIKey
DHHHEJNVYJXXCA-UHFFFAOYSA-N
Compound name
1-bromocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

186.99966 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00694 135.5
[M+Na]+ 209.98888 138.1
[M+NH4]+ 205.03348 139.7
[M+K]+ 225.96282 133.2
[M-H]- 185.99238 130.3
[M+Na-2H]- 207.97433 137.8
[M]+ 186.99911 132.8
[M]- 187.00021 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe