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

44
Patents

137.12045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 128.5
[M+Na]+ 160.109668 136.4
[M-H]- 136.113174 131.6
[M+NH4]+ 155.154273 148.4
[M+K]+ 176.083608 133.8
[M+H-H2O]+ 120.117710 117.1
[M+HCOO]- 182.118651 145.8
[M+CH3COO]- 196.134301 187.8
[M+Na-2H]- 158.095116 133.4
[M]+ 137.11990142 120.2
[M]- 137.12099858 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