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

22
Patents

123.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 124.0
[M+Na]+ 146.05763 133.1
[M-H]- 122.06113 126.3
[M+NH4]+ 141.10223 143.7
[M+K]+ 162.03157 130.5
[M+H-H2O]+ 106.06567 112.9
[M+HCOO]- 168.06661 141.9
[M+CH3COO]- 182.08226 181.3
[M+Na-2H]- 144.04308 130.0
[M]+ 123.06786 115.8
[M]- 123.06896 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