CID 13382295

1-(2-chloroethyl)cyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C9H14ClN
SMILES
C1CCC(CC1)(CCCl)C#N
InChI
InChI=1S/C9H14ClN/c10-7-6-9(8-11)4-2-1-3-5-9/h1-7H2
InChIKey
NFDLLKHDNXWXGP-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08148 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.08876 135.3
[M+Na]+ 194.07070 146.7
[M+NH4]+ 189.11530 142.9
[M+K]+ 210.04464 134.7
[M-H]- 170.07420 130.7
[M+Na-2H]- 192.05615 140.3
[M]+ 171.08093 135.2
[M]- 171.08203 135.2
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

No patent data available for this compound.