CID 24274730

2-(n'-phenylcarbamimidamido)acetic acid hydrochloride

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1=CC=C(C=C1)NC(=NCC(=O)O)N
InChI
InChI=1S/C9H11N3O2/c10-9(11-6-8(13)14)12-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)(H3,10,11,12)
InChIKey
FOXIJYIBIRNALI-UHFFFAOYSA-N
Compound name
2-[[amino(anilino)methylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 140.8
[M+Na]+ 216.074348 145.7
[M-H]- 192.077854 143.8
[M+NH4]+ 211.118953 158.6
[M+K]+ 232.048288 144.2
[M+H-H2O]+ 176.082390 133.7
[M+HCOO]- 238.083331 166.6
[M+CH3COO]- 252.098981 188.4
[M+Na-2H]- 214.059796 146.3
[M]+ 193.08458142 137.4
[M]- 193.08567858 137.4
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