CID 20450643

4-ethylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C9H15N
SMILES
CCC1CCC(CC1)C#N
InChI
InChI=1S/C9H15N/c1-2-8-3-5-9(7-10)6-4-8/h8-9H,2-6H2,1H3
InChIKey
PUSZRFDNYYWDRB-UHFFFAOYSA-N
Compound name
4-ethylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

137.12045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 128.5
[M+Na]+ 160.10967 136.4
[M-H]- 136.11317 131.6
[M+NH4]+ 155.15427 148.4
[M+K]+ 176.08361 133.8
[M+H-H2O]+ 120.11771 117.1
[M+HCOO]- 182.11865 145.8
[M+CH3COO]- 196.13430 187.8
[M+Na-2H]- 158.09512 133.4
[M]+ 137.11990 120.2
[M]- 137.12100 120.2
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

patents stripe