CID 21134196

8-methyl-1,4-dioxaspiro[4.5]decan-8-amine hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCC2(CC1)OCCO2)N
InChI
InChI=1S/C9H17NO2/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h2-7,10H2,1H3
InChIKey
RTNWEIURRWNLEA-UHFFFAOYSA-N
Compound name
8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

171.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 136.3
[M+Na]+ 194.11515 141.7
[M-H]- 170.11865 142.1
[M+NH4]+ 189.15975 159.2
[M+K]+ 210.08909 142.8
[M+H-H2O]+ 154.12319 131.8
[M+HCOO]- 216.12413 154.7
[M+CH3COO]- 230.13978 176.7
[M+Na-2H]- 192.10060 143.6
[M]+ 171.12538 131.1
[M]- 171.12648 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe