CID 40418762

1-formyl-d-tryptophan

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2C=O)C[C@H](C(=O)O)N
InChI
InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m1/s1
InChIKey
KRUDZOGZZBVSHD-SNVBAGLBSA-N
Compound name
(2R)-2-amino-3-(1-formylindol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.0848 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 149.9
[M+Na]+ 255.07402 160.4
[M+NH4]+ 250.11862 156.3
[M+K]+ 271.04796 157.9
[M-H]- 231.07752 150.0
[M+Na-2H]- 253.05947 153.8
[M]+ 232.08425 151.0
[M]- 232.08535 151.0
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

patents stripe