CID 20575451

1-ethylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C9H15N
SMILES
CCC1(CCCCC1)C#N
InChI
InChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h2-7H2,1H3
InChIKey
MEHBOHFZFXGIQL-UHFFFAOYSA-N
Compound name
1-ethylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

137.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 129.6
[M+Na]+ 160.10967 137.8
[M-H]- 136.11317 132.8
[M+NH4]+ 155.15427 151.1
[M+K]+ 176.08361 134.6
[M+H-H2O]+ 120.11771 118.7
[M+HCOO]- 182.11865 147.0
[M+CH3COO]- 196.13430 186.4
[M+Na-2H]- 158.09512 136.0
[M]+ 137.11990 121.2
[M]- 137.12100 121.2
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