CID 13055236

149451-80-9

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CO)O
InChI
InChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-12(13(18)10-17)9-11-7-5-4-6-8-11/h4-8,12-13,17-18H,9-10H2,1-3H3,(H,16,19)
InChIKey
SIFKOOILPFBRCJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,4-dihydroxy-1-phenylbutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 168.2
[M+Na]+ 304.151938 171.1
[M-H]- 280.155444 168.3
[M+NH4]+ 299.196543 182.1
[M+K]+ 320.125878 169.7
[M+H-H2O]+ 264.159980 161.8
[M+HCOO]- 326.160921 185.3
[M+CH3COO]- 340.176571 197.6
[M+Na-2H]- 302.137386 169.7
[M]+ 281.16217142 168.1
[M]- 281.16326858 168.1
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.