CID 105474

67599-15-9

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CC1=CC(=C(C=C1)OC)N=NN(C)CC(=O)O
InChI
InChI=1S/C11H15N3O3/c1-8-4-5-10(17-3)9(6-8)12-13-14(2)7-11(15)16/h4-6H,7H2,1-3H3,(H,15,16)
InChIKey
BTQDBKVRXMNEGN-UHFFFAOYSA-N
Compound name
2-[[(2-methoxy-5-methylphenyl)diazenyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.11134 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 151.5
[M+Na]+ 260.10056 158.0
[M-H]- 236.10406 158.2
[M+NH4]+ 255.14516 169.8
[M+K]+ 276.07450 158.8
[M+H-H2O]+ 220.10860 143.7
[M+HCOO]- 282.10954 180.5
[M+CH3COO]- 296.12519 205.3
[M+Na-2H]- 258.08601 156.7
[M]+ 237.11079 155.9
[M]- 237.11189 155.9
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