CID 14929049

Tert-butyl n-(5-oxohexyl)carbamate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(=O)CCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO3/c1-9(13)7-5-6-8-12-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKey
YSBSLGMWGAIEEA-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-oxohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

215.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 152.5
[M+Na]+ 238.141368 157.6
[M-H]- 214.144874 152.5
[M+NH4]+ 233.185973 171.1
[M+K]+ 254.115308 157.6
[M+H-H2O]+ 198.149410 147.4
[M+HCOO]- 260.150351 173.4
[M+CH3COO]- 274.166001 191.2
[M+Na-2H]- 236.126816 155.5
[M]+ 215.15160142 155.9
[M]- 215.15269858 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe