CID 28509781

(2s)-1-[(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)NC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C9H16N2O3/c1-6(2)10-9(14)11-5-3-4-7(11)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKey
QAYBEWHSDGBTFE-ZETCQYMHSA-N
Compound name
(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

200.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 146.4
[M+Na]+ 223.105308 151.0
[M-H]- 199.108814 146.9
[M+NH4]+ 218.149913 164.8
[M+K]+ 239.079248 150.6
[M+H-H2O]+ 183.113350 140.2
[M+HCOO]- 245.114291 165.0
[M+CH3COO]- 259.129941 183.9
[M+Na-2H]- 221.090756 145.9
[M]+ 200.11554142 143.2
[M]- 200.11663858 143.2
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