CID 3040681

4-carbamimidoyl-l-phenylalanine

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)C(=N)N
InChI
InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
InChIKey
XPRCPVGCTGELMN-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(4-carbamimidoylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

907
Patents

207.10077 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 146.4
[M+Na]+ 230.08999 151.0
[M-H]- 206.09349 147.8
[M+NH4]+ 225.13459 162.8
[M+K]+ 246.06393 148.7
[M+H-H2O]+ 190.09803 139.7
[M+HCOO]- 252.09897 168.7
[M+CH3COO]- 266.11462 192.2
[M+Na-2H]- 228.07544 147.8
[M]+ 207.10022 140.4
[M]- 207.10132 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe