CID 3018722

77497-44-0

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC(C)(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)ON
InChI
InChI=1S/C17H19NO3/c1-17(2,21-18)16(19)20-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,18H2,1-2H3
InChIKey
QRRMFTHXRXKGRY-UHFFFAOYSA-N
Compound name
benzhydryl 2-aminooxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

285.1365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.143776 167.1
[M+Na]+ 308.125718 171.5
[M-H]- 284.129224 172.8
[M+NH4]+ 303.170323 181.5
[M+K]+ 324.099658 169.2
[M+H-H2O]+ 268.133760 159.2
[M+HCOO]- 330.134701 188.1
[M+CH3COO]- 344.150351 202.0
[M+Na-2H]- 306.111166 171.3
[M]+ 285.13595142 167.3
[M]- 285.13704858 167.3
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

patents stripe