CID 60038607

6-methyl-2-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC1CC2(C1)CNC2

InChI

InChI=1S/C7H13N/c1-6-2-7(3-6)4-8-5-7/h6,8H,2-5H2,1H3

InChIKey

WTCFBROQCNCRKV-UHFFFAOYSA-N

Compound name

6-methyl-2-azaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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]+	112.112076	117.3
[M+Na]+	134.094018	122.3
[M-H]-	110.097524	120.5
[M+NH4]+	129.138623	127.1
[M+K]+	150.067958	126.1
[M+H-H2O]+	94.102060	104.7
[M+HCOO]-	156.103001	134.0
[M+CH3COO]-	170.118651	180.5
[M+Na-2H]-	132.079466	124.5
[M]+	111.10425142	129.8
[M]-	111.10534858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe