CID 130599013

2309444-58-2

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CN1C=C(N=N1)C(C(=O)OC)N
InChI
InChI=1S/C6H10N4O2/c1-10-3-4(8-9-10)5(7)6(11)12-2/h3,5H,7H2,1-2H3
InChIKey
KJUUMWLYWOHBDM-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(1-methyltriazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 135.0
[M+Na]+ 193.069588 143.4
[M-H]- 169.073094 134.8
[M+NH4]+ 188.114193 152.7
[M+K]+ 209.043528 143.2
[M+H-H2O]+ 153.077630 127.2
[M+HCOO]- 215.078571 156.5
[M+CH3COO]- 229.094221 180.2
[M+Na-2H]- 191.055036 138.6
[M]+ 170.07982142 135.5
[M]- 170.08091858 135.5
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.