CID 10262010

4-(n-methylcarbamimidamido)benzoic acid hydrochloride

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CN(C1=CC=C(C=C1)C(=O)O)C(=N)N
InChI
InChI=1S/C9H11N3O2/c1-12(9(10)11)7-4-2-6(3-5-7)8(13)14/h2-5H,1H3,(H3,10,11)(H,13,14)
InChIKey
YDEKANAIYSCHCW-UHFFFAOYSA-N
Compound name
4-[carbamimidoyl(methyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

193.08513 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 142.3
[M+Na]+ 216.07435 150.5
[M+NH4]+ 211.11895 148.6
[M+K]+ 232.04829 147.4
[M-H]- 192.07785 144.0
[M+Na-2H]- 214.05980 147.0
[M]+ 193.08458 143.4
[M]- 193.08568 143.4
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