CID 66725971

Ethyl 3-(dimethylamino)-2-(4-cyano-1h-1,2,3-triazol-1-yl)acrylate

Structural Information

Molecular Formula
C10H13N5O2
SMILES
CCOC(=O)/C(=C/N(C)C)/N1C=C(N=N1)C#N
InChI
InChI=1S/C10H13N5O2/c1-4-17-10(16)9(7-14(2)3)15-6-8(5-11)12-13-15/h6-7H,4H2,1-3H3/b9-7-
InChIKey
ZQOBTQXOHGZNRL-CLFYSBASSA-N
Compound name
ethyl (Z)-2-(4-cyanotriazol-1-yl)-3-(dimethylamino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

235.10692 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 149.6
[M+Na]+ 258.09614 157.3
[M-H]- 234.09964 149.4
[M+NH4]+ 253.14074 163.0
[M+K]+ 274.07008 157.2
[M+H-H2O]+ 218.10418 133.3
[M+HCOO]- 280.10512 166.9
[M+CH3COO]- 294.12077 206.7
[M+Na-2H]- 256.08159 151.3
[M]+ 235.10637 146.9
[M]- 235.10747 146.9
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