CID 71744108

Spiro[3.3]heptan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2(C1)CCC2N

InChI

InChI=1S/C7H13N/c8-6-2-5-7(6)3-1-4-7/h6H,1-5,8H2

InChIKey

WVKSZPJMDHSJDV-UHFFFAOYSA-N

Compound name

spiro[3.3]heptan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 111.1048 Da
Monoisotopic Mass: 1.0
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]+	112.11208	117.6
[M+Na]+	134.09402	121.8
[M-H]-	110.09752	122.8
[M+NH4]+	129.13862	128.5
[M+K]+	150.06796	126.3
[M+H-H2O]+	94.102060	104.8
[M+HCOO]-	156.10300	136.9
[M+CH3COO]-	170.11865	184.1
[M+Na-2H]-	132.07947	124.3
[M]+	111.10425	129.6
[M]-	111.10535	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe