CID 62951852

1955506-49-6

Structural Information

Molecular Formula
C5H10N4O
SMILES
COCC1=NC(=NN1)CN
InChI
InChI=1S/C5H10N4O/c1-10-3-5-7-4(2-6)8-9-5/h2-3,6H2,1H3,(H,7,8,9)
InChIKey
WQRHJVAXXIVWAV-UHFFFAOYSA-N
Compound name
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.08546 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.09274 128.3
[M+Na]+ 165.07468 136.9
[M-H]- 141.07818 126.4
[M+NH4]+ 160.11928 146.5
[M+K]+ 181.04862 135.2
[M+H-H2O]+ 125.08272 120.6
[M+HCOO]- 187.08366 150.1
[M+CH3COO]- 201.09931 172.3
[M+Na-2H]- 163.06013 134.3
[M]+ 142.08491 127.1
[M]- 142.08601 127.1
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

No patent data available for this compound.