CID 68235624

135302-10-2

Structural Information

Molecular Formula
C5H9N3O2
SMILES
CN1C(=NNC1=O)COC
InChI
InChI=1S/C5H9N3O2/c1-8-4(3-10-2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
InChIKey
YBBVPJIMOYCTGM-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

143.06947 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.07675 126.5
[M+Na]+ 166.05869 137.2
[M-H]- 142.06219 125.5
[M+NH4]+ 161.10329 145.6
[M+K]+ 182.03263 135.7
[M+H-H2O]+ 126.06673 119.6
[M+HCOO]- 188.06767 148.2
[M+CH3COO]- 202.08332 170.5
[M+Na-2H]- 164.04414 132.3
[M]+ 143.06892 128.2
[M]- 143.07002 128.2
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