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]+ 152.143376 131.9
[M+Na]+ 174.125318 141.7
[M-H]- 150.128824 136.0
[M+NH4]+ 169.169923 155.1
[M+K]+ 190.099258 138.1
[M+H-H2O]+ 134.133360 122.1
[M+HCOO]- 196.134301 149.1
[M+CH3COO]- 210.149951 189.9
[M+Na-2H]- 172.110766 138.4
[M]+ 151.13555142 124.7
[M]- 151.13664858 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