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]+ 168.138286 140.9
[M+Na]+ 190.120228 148.7
[M-H]- 166.123734 143.0
[M+NH4]+ 185.164833 160.7
[M+K]+ 206.094168 145.5
[M+H-H2O]+ 150.128270 130.6
[M+HCOO]- 212.129211 155.4
[M+CH3COO]- 226.144861 188.7
[M+Na-2H]- 188.105676 146.7
[M]+ 167.13046142 132.0
[M]- 167.13155858 132.0
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.