CID 26369821

50494-42-3

Structural Information

Molecular Formula
C6H9NO
SMILES
C1C=CCC1C(=O)N
InChI
InChI=1S/C6H9NO/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2,(H2,7,8)
InChIKey
XVPVECZALBQBJX-UHFFFAOYSA-N
Compound name
cyclopent-3-ene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 121.6
[M+Na]+ 134.057628 128.3
[M-H]- 110.061134 124.7
[M+NH4]+ 129.102233 145.3
[M+K]+ 150.031568 127.5
[M+H-H2O]+ 94.065670 116.4
[M+HCOO]- 156.066611 146.2
[M+CH3COO]- 170.082261 168.7
[M+Na-2H]- 132.043076 126.1
[M]+ 111.06786142 117.9
[M]- 111.06895858 117.9
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