CID 12468656

2-(1-hydroxycyclohexyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H17NO
SMILES
CC(C)(C#N)C1(CCCCC1)O
InChI
InChI=1S/C10H17NO/c1-9(2,8-11)10(12)6-4-3-5-7-10/h12H,3-7H2,1-2H3
InChIKey
CAPFEGFDDNRVFW-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclohexyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 138.9
[M+Na]+ 190.12023 148.2
[M+NH4]+ 185.16483 145.0
[M+K]+ 206.09417 138.4
[M-H]- 166.12373 132.6
[M+Na-2H]- 188.10568 142.5
[M]+ 167.13046 137.7
[M]- 167.13156 137.7
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

No patent data available for this compound.