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

11
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 128.8
[M+Na]+ 209.98888 141.1
[M-H]- 185.99238 133.5
[M+NH4]+ 205.03348 151.4
[M+K]+ 225.96282 129.6
[M+H-H2O]+ 169.99692 123.8
[M+HCOO]- 231.99786 146.8
[M+CH3COO]- 246.01351 190.4
[M+Na-2H]- 207.97433 137.2
[M]+ 186.99911 137.1
[M]- 187.00021 137.2
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