CID 56639660

{spiro[5.5]undecan-3-yl}methanamine

Structural Information

Molecular Formula

C₁₂H₂₃N

SMILES

C1CCC2(CC1)CCC(CC2)CN

InChI

InChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2

InChIKey

WJWJUXLLYMXVCZ-UHFFFAOYSA-N

Compound name

spiro[5.5]undecan-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 181.18304 Da
Monoisotopic Mass: 3.7
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]+	182.190316	144.8
[M+Na]+	204.172258	146.8
[M-H]-	180.175764	148.1
[M+NH4]+	199.216863	165.9
[M+K]+	220.146198	144.3
[M+H-H2O]+	164.180300	138.4
[M+HCOO]-	226.181241	161.4
[M+CH3COO]-	240.196891	182.2
[M+Na-2H]-	202.157706	148.6
[M]+	181.18249142	133.7
[M]-	181.18358858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe