CID 57415916

1346556-73-7

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C=O

InChI

InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-6-4-14(5-7-15)8-11(9-14)10-16/h10-11H,4-9H2,1-3H3

InChIKey

WBDRRHIDBADVAT-UHFFFAOYSA-N

Compound name

tert-butyl 2-formyl-7-azaspiro[3.5]nonane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 253.1678 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]+	254.175076	159.1
[M+Na]+	276.157018	162.9
[M-H]-	252.160524	162.5
[M+NH4]+	271.201623	170.8
[M+K]+	292.130958	164.8
[M+H-H2O]+	236.165060	148.6
[M+HCOO]-	298.166001	173.2
[M+CH3COO]-	312.181651	195.9
[M+Na-2H]-	274.142466	162.2
[M]+	253.16725142	165.9
[M]-	253.16834858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe