CID 5387498

Nsc624254

Structural Information

Molecular Formula
C11H9N3O2
SMILES
COC(=O)/C=C/C1=CC2=C(C=C1)N=NC=N2
InChI
InChI=1S/C11H9N3O2/c1-16-11(15)5-3-8-2-4-9-10(6-8)12-7-13-14-9/h2-7H,1H3/b5-3+
InChIKey
VFIJELKCURNDGR-HWKANZROSA-N
Compound name
methyl (E)-3-(1,2,4-benzotriazin-6-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 146.2
[M+Na]+ 238.05869 155.5
[M-H]- 214.06219 146.7
[M+NH4]+ 233.10329 161.7
[M+K]+ 254.03263 152.0
[M+H-H2O]+ 198.06673 137.4
[M+HCOO]- 260.06767 165.8
[M+CH3COO]- 274.08332 186.1
[M+Na-2H]- 236.04414 154.8
[M]+ 215.06892 148.1
[M]- 215.07002 148.1
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.