CID 17753790

4-amino-l-tryptophan

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1=CC(=C2C(=C1)NC=C2C[C@@H](C(=O)O)N)N
InChI
InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1
InChIKey
JUDQOTGDEFNIKF-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
Patents

219.10077 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 146.8
[M+Na]+ 242.08999 154.5
[M-H]- 218.09349 147.2
[M+NH4]+ 237.13459 164.4
[M+K]+ 258.06393 150.3
[M+H-H2O]+ 202.09803 140.4
[M+HCOO]- 264.09897 167.9
[M+CH3COO]- 278.11462 188.6
[M+Na-2H]- 240.07544 149.8
[M]+ 219.10022 143.5
[M]- 219.10132 143.5
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