CID 3059540

3-(3,3-dimethyltriazeno)-p-toluic acid

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)O)N=NN(C)C
InChI
InChI=1S/C10H13N3O2/c1-7-4-5-8(10(14)15)6-9(7)11-12-13(2)3/h4-6H,1-3H3,(H,14,15)
InChIKey
CDSGXMQRMKFGDC-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 144.2
[M+Na]+ 230.08999 151.3
[M-H]- 206.09349 151.2
[M+NH4]+ 225.13459 163.8
[M+K]+ 246.06393 151.8
[M+H-H2O]+ 190.09803 136.9
[M+HCOO]- 252.09897 173.3
[M+CH3COO]- 266.11462 200.1
[M+Na-2H]- 228.07544 149.8
[M]+ 207.10022 146.8
[M]- 207.10132 146.8
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.