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

47
Patents

137.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 129.6
[M+Na]+ 160.109668 137.8
[M-H]- 136.113174 132.8
[M+NH4]+ 155.154273 151.1
[M+K]+ 176.083608 134.6
[M+H-H2O]+ 120.117710 118.7
[M+HCOO]- 182.118651 147.0
[M+CH3COO]- 196.134301 186.4
[M+Na-2H]- 158.095116 136.0
[M]+ 137.11990142 121.2
[M]- 137.12099858 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