CID 9604805

1-(p-tolyl)-2-(triazol-2-yl)ethanone oxime

Structural Information

Molecular Formula
C11H12N4O
SMILES
CC1=CC=C(C=C1)/C(=N\O)/CN2N=CC=N2
InChI
InChI=1S/C11H12N4O/c1-9-2-4-10(5-3-9)11(14-16)8-15-12-6-7-13-15/h2-7,16H,8H2,1H3/b14-11-
InChIKey
RLPFZVCYOGELQR-KAMYIIQDSA-N
Compound name
(NE)-N-[1-(4-methylphenyl)-2-(triazol-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.108376 147.1
[M+Na]+ 239.090318 155.0
[M-H]- 215.093824 150.1
[M+NH4]+ 234.134923 162.8
[M+K]+ 255.064258 151.9
[M+H-H2O]+ 199.098360 137.7
[M+HCOO]- 261.099301 169.8
[M+CH3COO]- 275.114951 188.5
[M+Na-2H]- 237.075766 152.8
[M]+ 216.10055142 147.1
[M]- 216.10164858 147.1
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.