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

41
Patents

193.18304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 146.5
[M+Na]+ 216.17226 153.0
[M-H]- 192.17576 149.1
[M+NH4]+ 211.21686 165.9
[M+K]+ 232.14620 149.3
[M+H-H2O]+ 176.18030 135.1
[M+HCOO]- 238.18124 161.8
[M+CH3COO]- 252.19689 198.0
[M+Na-2H]- 214.15771 149.8
[M]+ 193.18249 138.8
[M]- 193.18359 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