CID 39872257

1118786-86-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NC1CC2(C1)CC(=O)C2

InChI

InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8H,4-7H2,1-3H3,(H,13,15)

InChIKey

HQXCHIODIJRHAT-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 225.13649 Da
Monoisotopic Mass: 1.1
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]+	226.14377	162.9
[M+Na]+	248.12571	161.8
[M+NH4]+	243.17031	162.7
[M+K]+	264.09965	159.9
[M-H]-	224.12921	158.0
[M+Na-2H]-	246.11116	161.3
[M]+	225.13594	159.0
[M]-	225.13704	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe