CID 135409347

Alanosine

Structural Information

Molecular Formula
C3H7N3O4
SMILES
C([C@@H](C(=O)O)N)/[N+](=N/O)/[O-]
InChI
InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,9H,1,4H2,(H,7,8)/b6-5-/t2-/m0/s1
InChIKey
ZGNLFUXWZJGETL-YUSKDDKASA-N
Compound name
(Z)-[(2S)-2-amino-2-carboxyethyl]-hydroxyimino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

90
References

10220
Patents

149.04366 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05094 124.2
[M+Na]+ 172.03288 129.4
[M-H]- 148.03638 122.9
[M+NH4]+ 167.07748 142.7
[M+K]+ 188.00682 125.9
[M+H-H2O]+ 132.04092 123.5
[M+HCOO]- 194.04186 148.8
[M+CH3COO]- 208.05751 169.2
[M+Na-2H]- 170.01833 130.3
[M]+ 149.04311 119.3
[M]- 149.04421 119.3
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