CID 105782

Einecs 267-352-7

Structural Information

Molecular Formula
C12H16N5
SMILES
CNC1=CC=C(C=C1)N=NC2=[N+](C=CN2C)C
InChI
InChI=1S/C12H15N5/c1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3/h4-9H,1-3H3/p+1
InChIKey
BWXXFQZKJLPGDW-UHFFFAOYSA-O
Compound name
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

405
Patents

230.14056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14784 149.6
[M+Na]+ 253.12978 163.9
[M+NH4]+ 248.17438 158.6
[M+K]+ 269.10372 159.2
[M-H]- 229.13328 156.5
[M+Na-2H]- 251.11523 159.6
[M]+ 230.14001 153.7
[M]- 230.14111 153.7
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