CID 263362

1-hydroxy-cycloheptanecarbonitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCCC(CC1)(C#N)O
InChI
InChI=1S/C8H13NO/c9-7-8(10)5-3-1-2-4-6-8/h10H,1-6H2
InChIKey
CGEZRNRVVMKSJB-UHFFFAOYSA-N
Compound name
1-hydroxycycloheptane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 126.6
[M+Na]+ 162.088938 132.7
[M-H]- 138.092444 129.6
[M+NH4]+ 157.133543 145.7
[M+K]+ 178.062878 133.1
[M+H-H2O]+ 122.096980 116.5
[M+HCOO]- 184.097921 142.3
[M+CH3COO]- 198.113571 185.0
[M+Na-2H]- 160.074386 132.5
[M]+ 139.09917142 115.0
[M]- 139.10026858 115.0
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

patents stripe