CID 217338

(2s)-1-carbamoylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C1C[C@H](N(C1)C(=O)N)C(=O)O
InChI
InChI=1S/C6H10N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)/t4-/m0/s1
InChIKey
RTNFBJXLYMERBB-BYPYZUCNSA-N
Compound name
(2S)-1-carbamoylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

1155
Patents

158.06914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 132.7
[M+Na]+ 181.05836 138.7
[M-H]- 157.06186 133.0
[M+NH4]+ 176.10296 152.4
[M+K]+ 197.03230 138.1
[M+H-H2O]+ 141.06640 126.7
[M+HCOO]- 203.06734 152.6
[M+CH3COO]- 217.08299 174.0
[M+Na-2H]- 179.04381 133.8
[M]+ 158.06859 128.0
[M]- 158.06969 128.0
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

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