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

8
Patents

200.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 146.4
[M+Na]+ 223.10531 151.0
[M-H]- 199.10881 146.9
[M+NH4]+ 218.14991 164.8
[M+K]+ 239.07925 150.6
[M+H-H2O]+ 183.11335 140.2
[M+HCOO]- 245.11429 165.0
[M+CH3COO]- 259.12994 183.9
[M+Na-2H]- 221.09076 145.9
[M]+ 200.11554 143.2
[M]- 200.11664 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