CID 503260

5-(acetamidomethyl)-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H16N2O5
SMILES
CC(=O)NCC1C(CC(N1)C(=O)O)C(=O)OC
InChI
InChI=1S/C10H16N2O5/c1-5(13)11-4-8-6(10(16)17-2)3-7(12-8)9(14)15/h6-8,12H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKey
KYVHTULMFRQQLU-UHFFFAOYSA-N
Compound name
5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.10593 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 154.2
[M+Na]+ 267.09515 158.8
[M-H]- 243.09865 153.4
[M+NH4]+ 262.13975 170.1
[M+K]+ 283.06909 157.9
[M+H-H2O]+ 227.10319 148.0
[M+HCOO]- 289.10413 171.5
[M+CH3COO]- 303.11978 189.5
[M+Na-2H]- 265.08060 152.4
[M]+ 244.10538 152.0
[M]- 244.10648 152.0
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

No patent data available for this compound.