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

19
Patents

186.10045 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.107726 141.8
[M+Na]+ 209.089668 146.9
[M-H]- 185.093174 141.7
[M+NH4]+ 204.134273 160.4
[M+K]+ 225.063608 145.9
[M+H-H2O]+ 169.097710 135.4
[M+HCOO]- 231.098651 161.0
[M+CH3COO]- 245.114301 180.0
[M+Na-2H]- 207.075116 141.9
[M]+ 186.09990142 137.8
[M]- 186.10099858 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