CID 316537

2-(n-benzylcarbamimidamido)acetic acid

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1=CC=C(C=C1)CN(CC(=O)O)C(=N)N
InChI
InChI=1S/C10H13N3O2/c11-10(12)13(7-9(14)15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12)(H,14,15)
InChIKey
DRCHOONPCUVLOU-UHFFFAOYSA-N
Compound name
2-[benzyl(carbamimidoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 146.0
[M+Na]+ 230.08999 150.1
[M-H]- 206.09349 148.9
[M+NH4]+ 225.13459 163.1
[M+K]+ 246.06393 148.9
[M+H-H2O]+ 190.09803 138.8
[M+HCOO]- 252.09897 170.4
[M+CH3COO]- 266.11462 193.1
[M+Na-2H]- 228.07544 149.6
[M]+ 207.10022 142.4
[M]- 207.10132 142.4
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