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]+ 215.081506 156.2
[M+Na]+ 237.063448 165.5
[M-H]- 213.066954 154.9
[M+NH4]+ 232.108053 171.6
[M+K]+ 253.037388 154.6
[M+H-H2O]+ 197.071490 147.6
[M+HCOO]- 259.072431 171.5
[M+CH3COO]- 273.088081 185.0
[M+Na-2H]- 235.048896 160.4
[M]+ 214.07368142 147.1
[M]- 214.07477858 147.1
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.