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 158.1
[M+Na]+ 270.11007 167.6
[M+NH4]+ 265.15467 160.7
[M+K]+ 286.08401 159.8
[M-H]- 246.11357 150.3
[M+Na-2H]- 268.09552 159.5
[M]+ 247.12030 156.2
[M]- 247.12140 156.2
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.