CID 14267859

116437-42-4

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC(C)(C)OC(=O)NCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-12-8-7-11-14(18)13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,19)
InChIKey
DJDVCMJMJKSDTB-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-oxo-5-phenylpentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

277.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 168.2
[M+Na]+ 300.15702 172.3
[M-H]- 276.16052 170.9
[M+NH4]+ 295.20162 183.8
[M+K]+ 316.13096 170.5
[M+H-H2O]+ 260.16506 161.3
[M+HCOO]- 322.16600 189.0
[M+CH3COO]- 336.18165 201.6
[M+Na-2H]- 298.14247 171.3
[M]+ 277.16725 170.8
[M]- 277.16835 170.8
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