CID 3080772

33173-53-4

Structural Information

Molecular Formula
C9H10N4O2
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)N=[N+]=[N-]
InChI
InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1
InChIKey
NEMHIKRLROONTL-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(4-azidophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

95
References

3926
Patents

206.08037 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 140.8
[M+Na]+ 229.069588 146.0
[M-H]- 205.073094 145.2
[M+NH4]+ 224.114193 158.1
[M+K]+ 245.043528 139.9
[M+H-H2O]+ 189.077630 138.1
[M+HCOO]- 251.078571 169.6
[M+CH3COO]- 265.094221 188.4
[M+Na-2H]- 227.055036 148.3
[M]+ 206.07982142 136.2
[M]- 206.08091858 136.2
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