CID 106397

68025-31-0

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
CC1=C(C=C(C=C1)N=NN(C)CC(=O)O)Cl
InChI
InChI=1S/C10H12ClN3O2/c1-7-3-4-8(5-9(7)11)12-13-14(2)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKey
JYVPCRMIUIXMSR-UHFFFAOYSA-N
Compound name
2-[[(3-chloro-4-methylphenyl)diazenyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 151.2
[M+Na]+ 264.05102 162.2
[M+NH4]+ 259.09562 158.7
[M+K]+ 280.02496 156.4
[M-H]- 240.05452 154.4
[M+Na-2H]- 262.03647 157.6
[M]+ 241.06125 153.6
[M]- 241.06235 153.6
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

No patent data available for this compound.