CID 11412446

1-chlorocyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C7H10ClN
SMILES
C1CCC(CC1)(C#N)Cl
InChI
InChI=1S/C7H10ClN/c8-7(6-9)4-2-1-3-5-7/h1-5H2
InChIKey
QPKYUTPXCLMLSN-UHFFFAOYSA-N
Compound name
1-chlorocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.05017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05745 127.7
[M+Na]+ 166.03939 137.6
[M-H]- 142.04289 131.1
[M+NH4]+ 161.08399 149.7
[M+K]+ 182.01333 132.8
[M+H-H2O]+ 126.04743 117.9
[M+HCOO]- 188.04837 141.6
[M+CH3COO]- 202.06402 184.4
[M+Na-2H]- 164.02484 134.6
[M]+ 143.04962 120.4
[M]- 143.05072 120.4
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