CID 13610

931-97-5

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCC(CC1)(C#N)O
InChI
InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2
InChIKey
ZDBRPNZOTCHLSP-UHFFFAOYSA-N
Compound name
1-hydroxycyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

452
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.1
[M+Na]+ 148.07328 134.6
[M-H]- 124.07678 128.3
[M+NH4]+ 143.11788 147.2
[M+K]+ 164.04722 131.6
[M+H-H2O]+ 108.08132 115.7
[M+HCOO]- 170.08226 142.8
[M+CH3COO]- 184.09791 180.3
[M+Na-2H]- 146.05873 132.9
[M]+ 125.08351 116.6
[M]- 125.08461 116.6
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.