CID 80361890

2306270-55-1

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CNC1CC2(C1)CCC2

InChI

InChI=1S/C8H15N/c1-9-7-5-8(6-7)3-2-4-8/h7,9H,2-6H2,1H3

InChIKey

LBWSXXGDCSNNIH-UHFFFAOYSA-N

Compound name

N-methylspiro[3.3]heptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 125.12045 Da
Monoisotopic Mass: 1.9
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	120.6
[M+Na]+	148.10967	124.4
[M-H]-	124.11317	126.1
[M+NH4]+	143.15427	131.2
[M+K]+	164.08361	129.0
[M+H-H2O]+	108.11771	107.6
[M+HCOO]-	170.11865	140.2
[M+CH3COO]-	184.13430	187.3
[M+Na-2H]-	146.09512	127.8
[M]+	125.11990	133.8
[M]-	125.12100	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe