CID 549281

76945-40-9

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC(=O)N1CC=CC1C(=O)O
InChI
InChI=1S/C7H9NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h2-3,6H,4H2,1H3,(H,10,11)
InChIKey
VBHKUSGNBBQVID-UHFFFAOYSA-N
Compound name
1-acetyl-2,5-dihydropyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

155.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 132.3
[M+Na]+ 178.04746 141.3
[M+NH4]+ 173.09206 138.7
[M+K]+ 194.02140 139.9
[M-H]- 154.05096 130.8
[M+Na-2H]- 176.03291 135.0
[M]+ 155.05769 132.7
[M]- 155.05879 132.7
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