CID 89348296

1417551-36-0

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)C=O

InChI

InChI=1S/C14H23NO3/c1-12(2,3)18-11(17)15-14-7-4-13(10-16,5-8-14)6-9-14/h10H,4-9H2,1-3H3,(H,15,17)

InChIKey

NDFVBLMGZYGPJV-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-formyl-1-bicyclo[2.2.2]octanyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 253.1678 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.175076	163.7
[M+Na]+	276.157018	166.8
[M-H]-	252.160524	159.6
[M+NH4]+	271.201623	188.5
[M+K]+	292.130958	165.2
[M+H-H2O]+	236.165060	159.6
[M+HCOO]-	298.166001	173.1
[M+CH3COO]-	312.181651	199.1
[M+Na-2H]-	274.142466	175.4
[M]+	253.16725142	165.9
[M]-	253.16834858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe