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

35
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 121.6
[M+Na]+ 134.05763 128.3
[M-H]- 110.06113 124.7
[M+NH4]+ 129.10223 145.3
[M+K]+ 150.03157 127.5
[M+H-H2O]+ 94.065670 116.4
[M+HCOO]- 156.06661 146.2
[M+CH3COO]- 170.08226 168.7
[M+Na-2H]- 132.04308 126.1
[M]+ 111.06786 117.9
[M]- 111.06896 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