CID 96434

Einecs 236-165-2

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CC(N(C1)C=O)C(=O)O
InChI
InChI=1S/C6H9NO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5H,1-3H2,(H,9,10)
InChIKey
DHDRGOURKDLAOT-UHFFFAOYSA-N
Compound name
1-formylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

143.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 127.9
[M+Na]+ 166.04746 135.1
[M-H]- 142.05096 128.7
[M+NH4]+ 161.09206 148.9
[M+K]+ 182.02140 134.4
[M+H-H2O]+ 126.05550 122.4
[M+HCOO]- 188.05644 148.5
[M+CH3COO]- 202.07209 169.3
[M+Na-2H]- 164.03291 131.0
[M]+ 143.05769 125.8
[M]- 143.05879 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe