CID 13610

1-hydroxycyclohexanecarbonitrile

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

389
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

literature stripe

Patent stripe

patents stripe