CID 503254

Dtxsid401123847

Structural Information

Molecular Formula
C12H23N3O4
SMILES
CC(C)N(CCCO)C(=O)N1CC(C(C1)N)C(=O)O
InChI
InChI=1S/C12H23N3O4/c1-8(2)15(4-3-5-16)12(19)14-6-9(11(17)18)10(13)7-14/h8-10,16H,3-7,13H2,1-2H3,(H,17,18)
InChIKey
HMIIBNQIZSBHLN-UHFFFAOYSA-N
Compound name
4-amino-1-[3-hydroxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

273.16885 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17613 165.8
[M+Na]+ 296.15807 168.7
[M-H]- 272.16157 165.6
[M+NH4]+ 291.20267 180.7
[M+K]+ 312.13201 168.5
[M+H-H2O]+ 256.16611 158.8
[M+HCOO]- 318.16705 183.0
[M+CH3COO]- 332.18270 202.2
[M+Na-2H]- 294.14352 161.5
[M]+ 273.16830 163.0
[M]- 273.16940 163.0
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

No patent data available for this compound.