CID 24838516

Brn 5058360

Structural Information

Molecular Formula
C11H14N4O3
SMILES
CN(C)N=NC1=CC=CC=C1C(=O)NCC(=O)O
InChI
InChI=1S/C11H14N4O3/c1-15(2)14-13-9-6-4-3-5-8(9)11(18)12-7-10(16)17/h3-6H,7H2,1-2H3,(H,12,18)(H,16,17)
InChIKey
AVCYQJLDSKOQAX-UHFFFAOYSA-N
Compound name
2-[[2-(dimethylaminodiazenyl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.1066 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 154.9
[M+Na]+ 273.09582 159.6
[M-H]- 249.09932 161.2
[M+NH4]+ 268.14042 171.7
[M+K]+ 289.06976 160.5
[M+H-H2O]+ 233.10386 146.5
[M+HCOO]- 295.10480 184.0
[M+CH3COO]- 309.12045 208.7
[M+Na-2H]- 271.08127 159.8
[M]+ 250.10605 156.6
[M]- 250.10715 156.6
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.