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]+ 110.060041 121.1
[M+Na]+ 132.041983 131.4
[M-H]- 108.045489 123.6
[M+NH4]+ 127.086588 142.8
[M+K]+ 148.015923 128.9
[M+H-H2O]+ 92.050025 110.0
[M+HCOO]- 154.050966 141.1
[M+CH3COO]- 168.066616 178.4
[M+Na-2H]- 130.027431 126.4
[M]+ 109.05221642 114.4
[M]- 109.05331358 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.