CID 71744111

Spiro[3.4]octan-1-amine

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CCC2(C1)CCC2N

InChI

InChI=1S/C8H15N/c9-7-3-6-8(7)4-1-2-5-8/h7H,1-6,9H2

InChIKey

SKFHSYNTRHQYPQ-UHFFFAOYSA-N

Compound name

spiro[3.4]octan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 125.12045 Da
Monoisotopic Mass: 1.5
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]+	126.12773	124.7
[M+Na]+	148.10967	129.4
[M-H]-	124.11317	129.7
[M+NH4]+	143.15427	143.8
[M+K]+	164.08361	130.6
[M+H-H2O]+	108.11771	115.5
[M+HCOO]-	170.11865	146.0
[M+CH3COO]-	184.13430	175.0
[M+Na-2H]-	146.09512	129.8
[M]+	125.11990	127.2
[M]-	125.12100	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe