CID 132398939

2172536-43-3

Structural Information

Molecular Formula
C7H12N4O2
SMILES
COC(=O)CN1C=C(N=N1)CCN
InChI
InChI=1S/C7H12N4O2/c1-13-7(12)5-11-4-6(2-3-8)9-10-11/h4H,2-3,5,8H2,1H3
InChIKey
HFLQJDIIWBWCKY-UHFFFAOYSA-N
Compound name
methyl 2-[4-(2-aminoethyl)triazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 139.1
[M+Na]+ 207.085238 147.3
[M-H]- 183.088744 138.5
[M+NH4]+ 202.129843 156.3
[M+K]+ 223.059178 146.3
[M+H-H2O]+ 167.093280 130.9
[M+HCOO]- 229.094221 161.2
[M+CH3COO]- 243.109871 182.3
[M+Na-2H]- 205.070686 143.4
[M]+ 184.09547142 140.6
[M]- 184.09656858 140.6
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.