CID 71756903

Methyl 2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]acetate dihydrochloride

Structural Information

Molecular Formula
C6H10N4O2
SMILES
COC(=O)CN1C=C(N=N1)CN
InChI
InChI=1S/C6H10N4O2/c1-12-6(11)4-10-3-5(2-7)8-9-10/h3H,2,4,7H2,1H3
InChIKey
JIQBIAGSUJLEHB-UHFFFAOYSA-N
Compound name
methyl 2-[4-(aminomethyl)triazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 134.6
[M+Na]+ 193.069588 143.3
[M-H]- 169.073094 134.2
[M+NH4]+ 188.114193 152.3
[M+K]+ 209.043528 142.5
[M+H-H2O]+ 153.077630 126.6
[M+HCOO]- 215.078571 157.0
[M+CH3COO]- 229.094221 179.3
[M+Na-2H]- 191.055036 139.4
[M]+ 170.07982142 135.7
[M]- 170.08091858 135.7
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.