CID 165992140

Tert-butyl n-[3-(4-hydroxyphenyl)prop-2-yn-1-yl]carbamate

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)(C)OC(=O)NCC#CC1=CC=C(C=C1)O
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-10-4-5-11-6-8-12(16)9-7-11/h6-9,16H,10H2,1-3H3,(H,15,17)
InChIKey
QEDKVURSXQEROL-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(4-hydroxyphenyl)prop-2-ynyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 163.3
[M+Na]+ 270.11007 171.5
[M-H]- 246.11357 164.1
[M+NH4]+ 265.15467 178.0
[M+K]+ 286.08401 167.9
[M+H-H2O]+ 230.11811 151.4
[M+HCOO]- 292.11905 178.5
[M+CH3COO]- 306.13470 198.3
[M+Na-2H]- 268.09552 166.0
[M]+ 247.12030 158.5
[M]- 247.12140 158.5
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.