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 126.6
[M+Na]+ 162.08894 132.7
[M-H]- 138.09244 129.6
[M+NH4]+ 157.13354 145.7
[M+K]+ 178.06288 133.1
[M+H-H2O]+ 122.09698 116.5
[M+HCOO]- 184.09792 142.3
[M+CH3COO]- 198.11357 185.0
[M+Na-2H]- 160.07439 132.5
[M]+ 139.09917 115.0
[M]- 139.10027 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