CID 503257

5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H18N4O4
SMILES
CC(=O)NCC1C(C(CN1C(=O)NC)C(=O)O)N
InChI
InChI=1S/C10H18N4O4/c1-5(15)13-3-7-8(11)6(9(16)17)4-14(7)10(18)12-2/h6-8H,3-4,11H2,1-2H3,(H,12,18)(H,13,15)(H,16,17)
InChIKey
KPGIWVHIPLSKAU-UHFFFAOYSA-N
Compound name
5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.1328 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14008 158.6
[M+Na]+ 281.12202 162.9
[M-H]- 257.12552 159.2
[M+NH4]+ 276.16662 174.0
[M+K]+ 297.09596 162.2
[M+H-H2O]+ 241.13006 151.6
[M+HCOO]- 303.13100 178.6
[M+CH3COO]- 317.14665 200.6
[M+Na-2H]- 279.10747 156.3
[M]+ 258.13225 154.6
[M]- 258.13335 154.6
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.