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]+ 129.07709 124.6
[M+Na]+ 151.05903 133.2
[M-H]- 127.06253 121.5
[M+NH4]+ 146.10363 142.6
[M+K]+ 167.03297 130.8
[M+H-H2O]+ 111.06707 117.3
[M+HCOO]- 173.06801 145.2
[M+CH3COO]- 187.08366 166.8
[M+Na-2H]- 149.04448 130.5
[M]+ 128.06926 121.2
[M]- 128.07036 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