CID 440046

3,4-dihydro-2h-pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1CC(=NC1)C(=O)O
InChI
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
InChIKey
RHTAIKJZSXNELN-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

158
Patents

113.047676 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 121.3
[M+Na]+ 136.03689 131.1
[M+NH4]+ 131.08150 129.1
[M+K]+ 152.01083 128.7
[M-H]- 112.04040 120.8
[M+Na-2H]- 134.02234 125.8
[M]+ 113.04713 122.2
[M]- 113.04822 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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