CID 368856

Nsc640191

Structural Information

Molecular Formula
C9H13NO
SMILES
C=CCC1CCN(C1=O)C=C
InChI
InChI=1S/C9H13NO/c1-3-5-8-6-7-10(4-2)9(8)11/h3-4,8H,1-2,5-7H2
InChIKey
YIMBZBYTYLLVIO-UHFFFAOYSA-N
Compound name
1-ethenyl-3-prop-2-enylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1459
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.6
[M+Na]+ 174.08894 140.6
[M-H]- 150.09244 134.6
[M+NH4]+ 169.13354 154.5
[M+K]+ 190.06288 138.1
[M+H-H2O]+ 134.09698 127.0
[M+HCOO]- 196.09792 154.4
[M+CH3COO]- 210.11357 176.4
[M+Na-2H]- 172.07439 135.2
[M]+ 151.09917 130.9
[M]- 151.10027 130.9
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

No patent data available for this compound.