CID 66896

51955-67-0

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CC1=CC=C(C=C1)N=NN(C)CC(=O)O
InChI
InChI=1S/C10H13N3O2/c1-8-3-5-9(6-4-8)11-12-13(2)7-10(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey
KOTDNLISXGEHNY-UHFFFAOYSA-N
Compound name
2-[methyl-[(4-methylphenyl)diazenyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.10077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 144.4
[M+Na]+ 230.08999 150.5
[M-H]- 206.09349 150.9
[M+NH4]+ 225.13459 163.6
[M+K]+ 246.06393 151.0
[M+H-H2O]+ 190.09803 136.8
[M+HCOO]- 252.09897 173.5
[M+CH3COO]- 266.11462 198.9
[M+Na-2H]- 228.07544 150.7
[M]+ 207.10022 146.6
[M]- 207.10132 146.6
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