CID 11600669

6-hydroxycyclohex-1-ene-1-carbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CC=C(C(C1)O)C#N
InChI
InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h3,7,9H,1-2,4H2
InChIKey
JGQMBKRQLBWMKJ-UHFFFAOYSA-N
Compound name
6-hydroxycyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

123.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 124.0
[M+Na]+ 146.057628 133.1
[M-H]- 122.061134 126.3
[M+NH4]+ 141.102233 143.7
[M+K]+ 162.031568 130.5
[M+H-H2O]+ 106.065670 112.9
[M+HCOO]- 168.066611 141.9
[M+CH3COO]- 182.082261 181.3
[M+Na-2H]- 144.043076 130.0
[M]+ 123.06786142 115.8
[M]- 123.06895858 115.8
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