CID 21425080

838835-51-1

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1(CCC(CC1)O)C#N
InChI
InChI=1S/C8H13NO/c1-8(6-9)4-2-7(10)3-5-8/h7,10H,2-5H2,1H3
InChIKey
FMNOPHVZUCKHFN-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

139.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.1
[M+Na]+ 162.08894 138.1
[M-H]- 138.09244 131.6
[M+NH4]+ 157.13354 150.1
[M+K]+ 178.06288 135.0
[M+H-H2O]+ 122.09698 118.9
[M+HCOO]- 184.09792 145.6
[M+CH3COO]- 198.11357 184.0
[M+Na-2H]- 160.07439 135.0
[M]+ 139.09917 120.4
[M]- 139.10027 120.4
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

patents stripe