CID 138111966

2168870-40-2

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NC1CC2(C1)CCC(=O)CC2

InChI

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

InChIKey

ACQHHXXCXSDMLQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(7-oxospiro[3.5]nonan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	159.1
[M+Na]+	276.157018	161.7
[M-H]-	252.160524	163.7
[M+NH4]+	271.201623	171.6
[M+K]+	292.130958	163.8
[M+H-H2O]+	236.165060	148.8
[M+HCOO]-	298.166001	175.2
[M+CH3COO]-	312.181651	198.1
[M+Na-2H]-	274.142466	162.4
[M]+	253.16725142	164.5
[M]-	253.16834858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe