CID 54416891

N-amidino-l-tyrosine

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N=C(N)N)O
InChI
InChI=1S/C10H13N3O3/c11-10(12)13-8(9(15)16)5-6-1-3-7(14)4-2-6/h1-4,8,14H,5H2,(H,15,16)(H4,11,12,13)/t8-/m0/s1
InChIKey
VYBVMTIRNMXCCP-QMMMGPOBSA-N
Compound name
(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.09569 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 149.2
[M+Na]+ 246.08491 153.6
[M-H]- 222.08841 150.5
[M+NH4]+ 241.12951 164.8
[M+K]+ 262.05885 152.0
[M+H-H2O]+ 206.09295 142.1
[M+HCOO]- 268.09389 171.7
[M+CH3COO]- 282.10954 193.8
[M+Na-2H]- 244.07036 150.6
[M]+ 223.09514 144.4
[M]- 223.09624 144.4
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