CID 392341

Nsc692617

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)N(C1=CC=CC=C1)OCCC=C
InChI
InChI=1S/C15H21NO3/c1-5-6-12-18-16(13-10-8-7-9-11-13)14(17)19-15(2,3)4/h5,7-11H,1,6,12H2,2-4H3
InChIKey
GUKTYOXQDWHXTQ-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-enoxy-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 163.0
[M+Na]+ 286.14135 168.1
[M-H]- 262.14485 167.5
[M+NH4]+ 281.18595 180.1
[M+K]+ 302.11529 167.4
[M+H-H2O]+ 246.14939 156.1
[M+HCOO]- 308.15033 185.8
[M+CH3COO]- 322.16598 201.2
[M+Na-2H]- 284.12680 167.2
[M]+ 263.15158 167.3
[M]- 263.15268 167.3
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.