CID 6452226

50632-92-3

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=CC2=C(C=C1)N=C(N=[N+]2[O-])N(C)C
InChI
InChI=1S/C10H12N4O/c1-7-4-5-8-9(6-7)14(15)12-10(11-8)13(2)3/h4-6H,1-3H3
InChIKey
JXTRWBHIQTVXTI-UHFFFAOYSA-N
Compound name
N,N,7-trimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

204.1011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.108376 143.1
[M+Na]+ 227.090318 152.8
[M-H]- 203.093824 144.5
[M+NH4]+ 222.134923 159.1
[M+K]+ 243.064258 145.6
[M+H-H2O]+ 187.098360 139.5
[M+HCOO]- 249.099301 164.0
[M+CH3COO]- 263.114951 183.8
[M+Na-2H]- 225.075766 153.5
[M]+ 204.10055142 142.9
[M]- 204.10164858 142.9
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