CID 20428562

1,2,3,6-tetradehydro-propylproline

Structural Information

Molecular Formula
C7H9NO2
SMILES
C=CC1=CC(NC1)C(=O)O
InChI
InChI=1S/C7H9NO2/c1-2-5-3-6(7(9)10)8-4-5/h2-3,6,8H,1,4H2,(H,9,10)
InChIKey
NWTNTOJHVFLUPZ-UHFFFAOYSA-N
Compound name
4-ethenyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 128.7
[M+Na]+ 162.05254 136.2
[M-H]- 138.05604 128.3
[M+NH4]+ 157.09714 149.3
[M+K]+ 178.02648 133.6
[M+H-H2O]+ 122.06058 123.4
[M+HCOO]- 184.06152 148.7
[M+CH3COO]- 198.07717 167.3
[M+Na-2H]- 160.03799 131.7
[M]+ 139.06277 125.0
[M]- 139.06387 125.0
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.