CID 125424360

2031259-31-9

Structural Information

Molecular Formula
C4H8N4O
SMILES
C(C1=NNC(=N1)CO)N
InChI
InChI=1S/C4H8N4O/c5-1-3-6-4(2-9)8-7-3/h9H,1-2,5H2,(H,6,7,8)
InChIKey
SCNMPIHJJUJQFU-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

128.06981 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 124.6
[M+Na]+ 151.059028 133.2
[M-H]- 127.062534 121.5
[M+NH4]+ 146.103633 142.6
[M+K]+ 167.032968 130.8
[M+H-H2O]+ 111.067070 117.3
[M+HCOO]- 173.068011 145.2
[M+CH3COO]- 187.083661 166.8
[M+Na-2H]- 149.044476 130.5
[M]+ 128.06926142 121.2
[M]- 128.07035858 121.2
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