CID 18218252

Tyrosylmethionine

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CSCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C14H20N2O4S/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)
InChIKey
KYPMKDGKAYQCHO-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.11438 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 172.6
[M+Na]+ 335.10360 174.8
[M-H]- 311.10710 171.9
[M+NH4]+ 330.14820 184.7
[M+K]+ 351.07754 171.6
[M+H-H2O]+ 295.11164 165.2
[M+HCOO]- 357.11258 185.4
[M+CH3COO]- 371.12823 205.5
[M+Na-2H]- 333.08905 169.2
[M]+ 312.11383 172.1
[M]- 312.11493 172.1
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