CID 10421820

170508-15-3

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

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

InChI

InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-10-6-13(7-10)4-9(5-13)8-15/h9-10,15H,4-8H2,1-3H3,(H,14,16)

InChIKey

VHRSRHDORQXSSK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 241.1678 Da
Monoisotopic Mass: 1.7
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]+	242.175076	155.9
[M+Na]+	264.157018	157.5
[M-H]-	240.160524	159.4
[M+NH4]+	259.201623	161.5
[M+K]+	280.130958	162.2
[M+H-H2O]+	224.165060	142.1
[M+HCOO]-	286.166001	170.4
[M+CH3COO]-	300.181651	203.2
[M+Na-2H]-	262.142466	158.4
[M]+	241.16725142	171.0
[M]-	241.16834858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe