CID 135624065

Brn 4806954

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC1=CC(=CC=C1)N=N/C(=C(\C)/O)/C(=O)NC
InChI
InChI=1S/C12H15N3O2/c1-8-5-4-6-10(7-8)14-15-11(9(2)16)12(17)13-3/h4-7,16H,1-3H3,(H,13,17)/b11-9+,15-14?
InChIKey
WGKAMPVOPBZNKL-KDMJNQCWSA-N
Compound name
(E)-3-hydroxy-N-methyl-2-[(3-methylphenyl)diazenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 153.8
[M+Na]+ 256.10564 158.8
[M-H]- 232.10914 158.8
[M+NH4]+ 251.15024 171.3
[M+K]+ 272.07958 157.9
[M+H-H2O]+ 216.11368 146.3
[M+HCOO]- 278.11462 180.0
[M+CH3COO]- 292.13027 201.2
[M+Na-2H]- 254.09109 157.3
[M]+ 233.11587 153.3
[M]- 233.11697 153.3
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.