CID 68743048

1084331-40-7

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1=CN=C(N=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C7H7N3O3/c11-5(12)4-10-7(13)6-8-2-1-3-9-6/h1-3H,4H2,(H,10,13)(H,11,12)
InChIKey
KKZRNNLCGJAXLA-UHFFFAOYSA-N
Compound name
2-(pyrimidine-2-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.04874 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.056016 135.6
[M+Na]+ 204.037958 142.5
[M-H]- 180.041464 135.3
[M+NH4]+ 199.082563 151.4
[M+K]+ 220.011898 141.1
[M+H-H2O]+ 164.046000 128.0
[M+HCOO]- 226.046941 156.8
[M+CH3COO]- 240.062591 178.5
[M+Na-2H]- 202.023406 142.4
[M]+ 181.04819142 134.6
[M]- 181.04928858 134.6
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

patents stripe