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]+ 185.10330 139.1
[M+Na]+ 207.08524 147.3
[M-H]- 183.08874 138.5
[M+NH4]+ 202.12984 156.3
[M+K]+ 223.05918 146.3
[M+H-H2O]+ 167.09328 130.9
[M+HCOO]- 229.09422 161.2
[M+CH3COO]- 243.10987 182.3
[M+Na-2H]- 205.07069 143.4
[M]+ 184.09547 140.6
[M]- 184.09657 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.