CID 15288184

1-(3-aminopropanoyl)pyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H14N2O3
SMILES
C1C[C@H](N(C1)C(=O)CCN)C(=O)O
InChI
InChI=1S/C8H14N2O3/c9-4-3-7(11)10-5-1-2-6(10)8(12)13/h6H,1-5,9H2,(H,12,13)/t6-/m0/s1
InChIKey
FZWUTBBNGPSHBP-LURJTMIESA-N
Compound name
(2S)-1-(3-aminopropanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.10045 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 141.8
[M+Na]+ 209.08967 146.9
[M-H]- 185.09317 141.7
[M+NH4]+ 204.13427 160.4
[M+K]+ 225.06361 145.9
[M+H-H2O]+ 169.09771 135.4
[M+HCOO]- 231.09865 161.0
[M+CH3COO]- 245.11430 180.0
[M+Na-2H]- 207.07512 141.9
[M]+ 186.09990 137.8
[M]- 186.10100 137.8
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