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

4
Patents

193.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 140.8
[M+Na]+ 216.07435 145.7
[M-H]- 192.07785 143.8
[M+NH4]+ 211.11895 158.6
[M+K]+ 232.04829 144.2
[M+H-H2O]+ 176.08239 133.7
[M+HCOO]- 238.08333 166.6
[M+CH3COO]- 252.09898 188.4
[M+Na-2H]- 214.05980 146.3
[M]+ 193.08458 137.4
[M]- 193.08568 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