CID 65391365

1,4,4-trimethylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C10H17N
SMILES
CC1(CCC(CC1)(C)C#N)C
InChI
InChI=1S/C10H17N/c1-9(2)4-6-10(3,8-11)7-5-9/h4-7H2,1-3H3
InChIKey
QRCQBVOXWMOELZ-UHFFFAOYSA-N
Compound name
1,4,4-trimethylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

151.1361 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 132.0
[M+Na]+ 174.12532 143.0
[M+NH4]+ 169.16992 140.4
[M+K]+ 190.09926 130.4
[M-H]- 150.12882 127.4
[M+Na-2H]- 172.11077 138.0
[M]+ 151.13555 131.7
[M]- 151.13665 131.7
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