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]+ 208.108046 144.2
[M+Na]+ 230.089988 151.3
[M-H]- 206.093494 151.2
[M+NH4]+ 225.134593 163.8
[M+K]+ 246.063928 151.8
[M+H-H2O]+ 190.098030 136.9
[M+HCOO]- 252.098971 173.3
[M+CH3COO]- 266.114621 200.1
[M+Na-2H]- 228.075436 149.8
[M]+ 207.10022142 146.8
[M]- 207.10131858 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.