CID 46937059

(2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid

Structural Information

Molecular Formula
C17H15NO3
SMILES
C[C@@H](CON=C1C2=CC=CC=C2C3=CC=CC=C31)C(=O)O
InChI
InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKey
ZHFDVDMCVXUGGF-NSHDSACASA-N
Compound name
(2S)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.4
[M+Na]+ 304.09442 170.6
[M-H]- 280.09792 168.8
[M+NH4]+ 299.13902 182.6
[M+K]+ 320.06836 166.9
[M+H-H2O]+ 264.10246 156.7
[M+HCOO]- 326.10340 185.6
[M+CH3COO]- 340.11905 203.2
[M+Na-2H]- 302.07987 167.7
[M]+ 281.10465 165.9
[M]- 281.10575 165.9
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