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

33
Patents

267.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 163.3
[M+Na]+ 290.13628 167.9
[M-H]- 266.13978 163.9
[M+NH4]+ 285.18088 178.2
[M+K]+ 306.11022 166.2
[M+H-H2O]+ 250.14432 157.2
[M+HCOO]- 312.14526 181.8
[M+CH3COO]- 326.16091 194.9
[M+Na-2H]- 288.12173 165.9
[M]+ 267.14651 163.9
[M]- 267.14761 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