CID 131486400

L-tryptophan isonitrile

Structural Information

Molecular Formula
C12H10N2O2
SMILES
[C-]#[N+][C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C12H10N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,(H,15,16)/t11-/m0/s1
InChIKey
UBSZGFBFCQBSCZ-NSHDSACASA-N
Compound name
(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

214.07423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 147.6
[M+Na]+ 237.06345 159.8
[M+NH4]+ 232.10805 151.8
[M+K]+ 253.03739 154.3
[M-H]- 213.06695 141.4
[M+Na-2H]- 235.04890 149.5
[M]+ 214.07368 146.5
[M]- 214.07478 146.5
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.