CID 4100757

2-cyclohexyl-2-methylpropionitrile

Structural Information

Molecular Formula
C10H17N
SMILES
CC(C)(C#N)C1CCCCC1
InChI
InChI=1S/C10H17N/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKey
WSFMYWWIDQSYLI-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

151.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.143376 136.2
[M+Na]+ 174.125318 143.3
[M-H]- 150.128824 139.1
[M+NH4]+ 169.169923 155.4
[M+K]+ 190.099258 140.8
[M+H-H2O]+ 134.133360 124.9
[M+HCOO]- 196.134301 151.7
[M+CH3COO]- 210.149951 189.8
[M+Na-2H]- 172.110766 141.4
[M]+ 151.13555142 127.4
[M]- 151.13664858 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe