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

39
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

literature stripe

Patent stripe

patents stripe