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]+ 140.10700 127.5
[M+Na]+ 162.08894 135.6
[M+NH4]+ 157.13354 133.4
[M+K]+ 178.06288 127.6
[M-H]- 138.09244 122.2
[M+Na-2H]- 160.07439 131.7
[M]+ 139.09917 126.4
[M]- 139.10027 126.4
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