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

19
Patents

171.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 136.3
[M+Na]+ 194.115148 141.7
[M-H]- 170.118654 142.1
[M+NH4]+ 189.159753 159.2
[M+K]+ 210.089088 142.8
[M+H-H2O]+ 154.123190 131.8
[M+HCOO]- 216.124131 154.7
[M+CH3COO]- 230.139781 176.7
[M+Na-2H]- 192.100596 143.6
[M]+ 171.12538142 131.1
[M]- 171.12647858 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