CID 763

Glycocyamine

Structural Information

Molecular Formula
C3H7N3O2
SMILES
C(C(=O)O)N=C(N)N
InChI
InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey
BPMFZUMJYQTVII-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

553
References

11076
Patents

117.053825 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06110 121.6
[M+Na]+ 140.04304 127.6
[M-H]- 116.04655 121.3
[M+NH4]+ 135.08765 142.4
[M+K]+ 156.01698 128.0
[M+H-H2O]+ 100.05108 116.0
[M+HCOO]- 162.05203 146.9
[M+CH3COO]- 176.06768 174.9
[M+Na-2H]- 138.02849 126.0
[M]+ 117.05328 117.2
[M]- 117.05437 117.2
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