CID 67110

120-04-7

Structural Information

Molecular Formula
C10H12ClN3O3
SMILES
CN(CC(=O)O)N=NC1=C(C=CC(=C1)Cl)OC
InChI
InChI=1S/C10H12ClN3O3/c1-14(6-10(15)16)13-12-8-5-7(11)3-4-9(8)17-2/h3-5H,6H2,1-2H3,(H,15,16)
InChIKey
GTGAPSOELDTFTP-UHFFFAOYSA-N
Compound name
2-[[(5-chloro-2-methoxyphenyl)diazenyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

257.05673 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06401 154.1
[M+Na]+ 280.04595 161.8
[M-H]- 256.04945 160.8
[M+NH4]+ 275.09055 172.4
[M+K]+ 296.01989 160.8
[M+H-H2O]+ 240.05399 147.5
[M+HCOO]- 302.05493 178.9
[M+CH3COO]- 316.07058 206.0
[M+Na-2H]- 278.03140 159.2
[M]+ 257.05618 160.3
[M]- 257.05728 160.3
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