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

18
Patents

196.09602 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 142.6
[M+Na]+ 219.08524 149.7
[M-H]- 195.08874 143.7
[M+NH4]+ 214.12984 159.8
[M+K]+ 235.05918 150.2
[M+H-H2O]+ 179.09328 134.0
[M+HCOO]- 241.09422 164.7
[M+CH3COO]- 255.10987 187.6
[M+Na-2H]- 217.07069 146.3
[M]+ 196.09547 144.9
[M]- 196.09657 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