CID 44237147

Indol-3-ylmethyl-l-cysteine

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
C1=CC=C2C(=C1)C(=CN2)CSCC(C(=O)O)N
InChI
InChI=1S/C12H14N2O2S/c13-10(12(15)16)7-17-6-8-5-14-11-4-2-1-3-9(8)11/h1-5,10,14H,6-7,13H2,(H,15,16)
InChIKey
MKYPFMIOAIZYTQ-UHFFFAOYSA-N
Compound name
2-amino-3-(1H-indol-3-ylmethylsulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 154.1
[M+Na]+ 273.06682 163.5
[M+NH4]+ 268.11142 161.3
[M+K]+ 289.04076 158.6
[M-H]- 249.07032 154.5
[M+Na-2H]- 271.05227 157.5
[M]+ 250.07705 155.7
[M]- 250.07815 155.7
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

No patent data available for this compound.