CID 5278239

(3s,4s)-4-amino-1-[3-aminopropyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H24N4O3
SMILES
CC(C)N(CCCN)C(=O)N1C[C@@H]([C@@H](C1)N)C(=O)O
InChI
InChI=1S/C12H24N4O3/c1-8(2)16(5-3-4-13)12(19)15-6-9(11(17)18)10(14)7-15/h8-10H,3-7,13-14H2,1-2H3,(H,17,18)/t9-,10+/m0/s1
InChIKey
ZKRGUXITRVJZAB-VHSXEESVSA-N
Compound name
(3S,4S)-4-amino-1-[3-aminopropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.18484 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19212 166.7
[M+Na]+ 295.17406 169.2
[M-H]- 271.17756 167.5
[M+NH4]+ 290.21866 181.7
[M+K]+ 311.14800 169.2
[M+H-H2O]+ 255.18210 159.1
[M+HCOO]- 317.18304 185.6
[M+CH3COO]- 331.19869 207.1
[M+Na-2H]- 293.15951 162.1
[M]+ 272.18429 162.6
[M]- 272.18539 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.