CID 11643926

5-hydroxycyclopent-1-ene-1-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC(C(=C1)C#N)O
InChI
InChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h2,6,8H,1,3H2
InChIKey
XYODDUAFKAHJBC-UHFFFAOYSA-N
Compound name
5-hydroxycyclopentene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.052765 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 121.1
[M+Na]+ 132.04198 131.4
[M-H]- 108.04549 123.6
[M+NH4]+ 127.08659 142.8
[M+K]+ 148.01592 128.9
[M+H-H2O]+ 92.050025 110.0
[M+HCOO]- 154.05097 141.1
[M+CH3COO]- 168.06662 178.4
[M+Na-2H]- 130.02743 126.4
[M]+ 109.05222 114.4
[M]- 109.05331 114.4
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

No patent data available for this compound.