CID 155970831

2639418-07-6

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC1(CC2CCC1CC2=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-14(4)8-9-5-6-10(14)7-11(9)16/h9-10H,5-8H2,1-4H3,(H,15,17)
InChIKey
OAWCEWROXCEWSB-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methyl-5-oxo-2-bicyclo[2.2.2]octanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 162.7
[M+Na]+ 276.15702 166.4
[M-H]- 252.16052 159.0
[M+NH4]+ 271.20162 186.2
[M+K]+ 292.13096 165.0
[M+H-H2O]+ 236.16506 159.1
[M+HCOO]- 298.16600 172.1
[M+CH3COO]- 312.18165 201.8
[M+Na-2H]- 274.14247 172.3
[M]+ 253.16725 165.3
[M]- 253.16835 165.3
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.