CID 137943591

2260937-41-3

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NCC1(CC2(C1)CCC2)C=O

InChI

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

InChIKey

WSQYWJLCLBOURO-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-formylspiro[3.3]heptan-2-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.1678 Da
Monoisotopic Mass: 2.2
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	159.8
[M+Na]+	276.157018	161.8
[M-H]-	252.160524	164.6
[M+NH4]+	271.201623	167.1
[M+K]+	292.130958	166.4
[M+H-H2O]+	236.165060	147.3
[M+HCOO]-	298.166001	175.6
[M+CH3COO]-	312.181651	205.9
[M+Na-2H]-	274.142466	164.0
[M]+	253.16725142	176.3
[M]-	253.16834858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.