CID 135770625

(s)-n-(4,5-dihydro-1-methyl-4-oxo-1h-imidazol-2-yl)alanine

Structural Information

Molecular Formula
C7H11N3O3
SMILES
CC(C(=O)O)N=C1NC(=O)CN1C
InChI
InChI=1S/C7H11N3O3/c1-4(6(12)13)8-7-9-5(11)3-10(7)2/h4H,3H2,1-2H3,(H,12,13)(H,8,9,11)
InChIKey
SKIVBBIKOOPRPR-UHFFFAOYSA-N
Compound name
2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.08005 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08733 140.6
[M+Na]+ 208.06927 147.5
[M+NH4]+ 203.11387 145.3
[M+K]+ 224.04321 147.1
[M-H]- 184.07277 138.1
[M+Na-2H]- 206.05472 141.3
[M]+ 185.07950 140.1
[M]- 185.08060 140.1
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