CID 15934817

Tert-butyl n-[(2s)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]carbamate

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)CO
InChI
InChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15-11(9-16)8-10-4-6-12(17)7-5-10/h4-7,11,16-17H,8-9H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKey
KMVXZPOLHFZPKW-NSHDSACASA-N
Compound name
tert-butyl N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

267.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 163.3
[M+Na]+ 290.136278 167.9
[M-H]- 266.139784 163.9
[M+NH4]+ 285.180883 178.2
[M+K]+ 306.110218 166.2
[M+H-H2O]+ 250.144320 157.2
[M+HCOO]- 312.145261 181.8
[M+CH3COO]- 326.160911 194.9
[M+Na-2H]- 288.121726 165.9
[M]+ 267.14651142 163.9
[M]- 267.14760858 163.9
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