CID 44242684

1-(2-ethylbutyl)cyclohexanecarbonitrile

Structural Information

Molecular Formula
C13H23N
SMILES
CCC(CC)CC1(CCCCC1)C#N
InChI
InChI=1S/C13H23N/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-10H2,1-2H3
InChIKey
DRMOLJPDSCAGCC-UHFFFAOYSA-N
Compound name
1-(2-ethylbutyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

193.18304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 146.5
[M+Na]+ 216.172258 153.0
[M-H]- 192.175764 149.1
[M+NH4]+ 211.216863 165.9
[M+K]+ 232.146198 149.3
[M+H-H2O]+ 176.180300 135.1
[M+HCOO]- 238.181241 161.8
[M+CH3COO]- 252.196891 198.0
[M+Na-2H]- 214.157706 149.8
[M]+ 193.18249142 138.8
[M]- 193.18358858 138.8
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