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]+ 171.08765 134.6
[M+Na]+ 193.06959 143.3
[M-H]- 169.07309 134.2
[M+NH4]+ 188.11419 152.3
[M+K]+ 209.04353 142.5
[M+H-H2O]+ 153.07763 126.6
[M+HCOO]- 215.07857 157.0
[M+CH3COO]- 229.09422 179.3
[M+Na-2H]- 191.05504 139.4
[M]+ 170.07982 135.7
[M]- 170.08092 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.