CID 69669696

3-(dimethylamino)-2-(1h-1,2,3-triazol-1-yl)acrylic acid methyl ester

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CN(C)/C=C(/C(=O)OC)\N1C=CN=N1
InChI
InChI=1S/C8H12N4O2/c1-11(2)6-7(8(13)14-3)12-5-4-9-10-12/h4-6H,1-3H3/b7-6-
InChIKey
UVCNAVLTBHCWPP-SREVYHEPSA-N
Compound name
methyl (Z)-3-(dimethylamino)-2-(triazol-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

196.09602 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 142.6
[M+Na]+ 219.085238 149.7
[M-H]- 195.088744 143.7
[M+NH4]+ 214.129843 159.8
[M+K]+ 235.059178 150.2
[M+H-H2O]+ 179.093280 134.0
[M+HCOO]- 241.094221 164.7
[M+CH3COO]- 255.109871 187.6
[M+Na-2H]- 217.070686 146.3
[M]+ 196.09547142 144.9
[M]- 196.09656858 144.9
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

patents stripe