CID 16758211

L-tryptophanal

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C=O)N
InChI
InChI=1S/C11H12N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6-7,9,13H,5,12H2/t9-/m0/s1
InChIKey
SOPHXQXKBAXPAL-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-(1H-indol-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

137
References

2191
Patents

188.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.6
[M+Na]+ 211.08418 148.2
[M-H]- 187.08768 141.4
[M+NH4]+ 206.12878 159.7
[M+K]+ 227.05812 143.9
[M+H-H2O]+ 171.09222 133.2
[M+HCOO]- 233.09316 162.6
[M+CH3COO]- 247.10881 181.9
[M+Na-2H]- 209.06963 145.4
[M]+ 188.09441 138.6
[M]- 188.09551 138.6
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