CID 66519951

1217481-78-1

Structural Information

Molecular Formula
C11H10N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C11H10N4O2/c12-15-14-10(11(16)17)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H,16,17)/t10-/m0/s1
InChIKey
HRCDRHRVDLUEED-JTQLQIEISA-N
Compound name
(2S)-2-azido-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

230.08037 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08765 145.6
[M+Na]+ 253.06959 152.2
[M-H]- 229.07309 149.2
[M+NH4]+ 248.11419 163.4
[M+K]+ 269.04353 144.4
[M+H-H2O]+ 213.07763 142.7
[M+HCOO]- 275.07857 172.7
[M+CH3COO]- 289.09422 187.4
[M+Na-2H]- 251.05504 155.0
[M]+ 230.07982 143.0
[M]- 230.08092 143.0
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

No patent data available for this compound.