CID 131741119

Tert-butyl n-[3-(prop-2-yn-1-yloxy)phenyl]carbamate

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC=C1)OCC#C
InChI
InChI=1S/C14H17NO3/c1-5-9-17-12-8-6-7-11(10-12)15-13(16)18-14(2,3)4/h1,6-8,10H,9H2,2-4H3,(H,15,16)
InChIKey
GRJGXTOUJXMIHF-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-prop-2-ynoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.12085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 161.1
[M+Na]+ 270.11007 169.5
[M-H]- 246.11357 163.0
[M+NH4]+ 265.15467 176.3
[M+K]+ 286.08401 166.6
[M+H-H2O]+ 230.11811 148.8
[M+HCOO]- 292.11905 177.6
[M+CH3COO]- 306.13470 201.8
[M+Na-2H]- 268.09552 164.4
[M]+ 247.12030 158.1
[M]- 247.12140 158.1
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

patents stripe