CID 13448145

2-bromocyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C7H10BrN
SMILES
C1CCC(C(C1)C#N)Br
InChI
InChI=1S/C7H10BrN/c8-7-4-2-1-3-6(7)5-9/h6-7H,1-4H2
InChIKey
OUIDFUZJSJVKMZ-UHFFFAOYSA-N
Compound name
2-bromocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.99966 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00694 128.7
[M+Na]+ 209.98888 140.7
[M-H]- 185.99238 133.2
[M+NH4]+ 205.03348 149.7
[M+K]+ 225.96282 129.6
[M+H-H2O]+ 169.99692 123.0
[M+HCOO]- 231.99786 146.6
[M+CH3COO]- 246.01351 191.7
[M+Na-2H]- 207.97433 135.5
[M]+ 186.99911 136.9
[M]- 187.00021 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe