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]+ 140.106996 129.1
[M+Na]+ 162.088938 138.1
[M-H]- 138.092444 131.6
[M+NH4]+ 157.133543 150.1
[M+K]+ 178.062878 135.0
[M+H-H2O]+ 122.096980 118.9
[M+HCOO]- 184.097921 145.6
[M+CH3COO]- 198.113571 184.0
[M+Na-2H]- 160.074386 135.0
[M]+ 139.09917142 120.4
[M]- 139.10026858 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