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]+ 140.070596 128.7
[M+Na]+ 162.052538 136.2
[M-H]- 138.056044 128.3
[M+NH4]+ 157.097143 149.3
[M+K]+ 178.026478 133.6
[M+H-H2O]+ 122.060580 123.4
[M+HCOO]- 184.061521 148.7
[M+CH3COO]- 198.077171 167.3
[M+Na-2H]- 160.037986 131.7
[M]+ 139.06277142 125.0
[M]- 139.06386858 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.