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

35
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 131.9
[M+Na]+ 174.12532 141.7
[M-H]- 150.12882 136.0
[M+NH4]+ 169.16992 155.1
[M+K]+ 190.09926 138.1
[M+H-H2O]+ 134.13336 122.1
[M+HCOO]- 196.13430 149.1
[M+CH3COO]- 210.14995 189.9
[M+Na-2H]- 172.11077 138.4
[M]+ 151.13555 124.7
[M]- 151.13665 124.7
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