CID 30077

20241-07-0

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CN(C)N=NC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C9H11N3O2/c1-12(2)11-10-8-5-3-4-7(6-8)9(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
BCPNATPABYLXNW-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

193.08513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 139.7
[M+Na]+ 216.074348 146.3
[M-H]- 192.077854 146.5
[M+NH4]+ 211.118953 159.5
[M+K]+ 232.048288 147.0
[M+H-H2O]+ 176.082390 132.4
[M+HCOO]- 238.083331 169.2
[M+CH3COO]- 252.098981 195.9
[M+Na-2H]- 214.059796 146.6
[M]+ 193.08458142 141.6
[M]- 193.08567858 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe