CID 138039620

2241139-53-5

Structural Information

Molecular Formula

C₁₅H₂₅NO₃

SMILES

CC(C)(C)OC(=O)NCC1CCCC2(C1=O)CCC2

InChI

InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-10-11-6-4-7-15(12(11)17)8-5-9-15/h11H,4-10H2,1-3H3,(H,16,18)

InChIKey

FHXBCDBEIIABFY-UHFFFAOYSA-N

Compound name

tert-butyl N-[(9-oxospiro[3.5]nonan-8-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.18344 Da
Monoisotopic Mass: 3.1
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]+	268.190716	163.7
[M+Na]+	290.172658	165.9
[M-H]-	266.176164	168.0
[M+NH4]+	285.217263	175.6
[M+K]+	306.146598	167.8
[M+H-H2O]+	250.180700	153.2
[M+HCOO]-	312.181641	179.5
[M+CH3COO]-	326.197291	201.1
[M+Na-2H]-	288.158106	166.4
[M]+	267.18289142	169.4
[M]-	267.18398858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.