CID 16228214

2-[(pyrimidin-2-yl)amino]acetic acid

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1=CN=C(N=C1)NCC(=O)O
InChI
InChI=1S/C6H7N3O2/c10-5(11)4-9-6-7-2-1-3-8-6/h1-3H,4H2,(H,10,11)(H,7,8,9)
InChIKey
CHJBSLXUNSLXIN-UHFFFAOYSA-N
Compound name
2-(pyrimidin-2-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

153.05383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 128.9
[M+Na]+ 176.04305 136.3
[M-H]- 152.04655 128.6
[M+NH4]+ 171.08765 146.0
[M+K]+ 192.01699 134.7
[M+H-H2O]+ 136.05109 121.6
[M+HCOO]- 198.05203 151.1
[M+CH3COO]- 212.06768 173.9
[M+Na-2H]- 174.02850 137.5
[M]+ 153.05328 127.7
[M]- 153.05438 127.7
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

patents stripe