CID 6305

L-tryptophan

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKey
QIVBCDIJIAJPQS-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

44709
References

97126
Patents

204.08987 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.4
[M+Na]+ 227.07909 151.1
[M-H]- 203.08259 144.0
[M+NH4]+ 222.12369 162.0
[M+K]+ 243.05303 147.1
[M+H-H2O]+ 187.08713 137.2
[M+HCOO]- 249.08807 164.1
[M+CH3COO]- 263.10372 182.5
[M+Na-2H]- 225.06454 147.6
[M]+ 204.08932 141.4
[M]- 204.09042 141.4
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

No patent data available for this compound.