CID 15646044

147751-28-8

Structural Information

Molecular Formula
C4H9N5O
SMILES
C(CO)NC1=NNC(=N1)N
InChI
InChI=1S/C4H9N5O/c5-3-7-4(9-8-3)6-1-2-10/h10H,1-2H2,(H4,5,6,7,8,9)
InChIKey
DWDAHUISFBDIKL-UHFFFAOYSA-N
Compound name
2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

143.0807 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08798 127.0
[M+Na]+ 166.06992 134.8
[M-H]- 142.07342 124.1
[M+NH4]+ 161.11452 144.1
[M+K]+ 182.04386 132.3
[M+H-H2O]+ 126.07796 119.3
[M+HCOO]- 188.07890 148.7
[M+CH3COO]- 202.09455 172.0
[M+Na-2H]- 164.05537 133.6
[M]+ 143.08015 122.9
[M]- 143.08125 122.9
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