CID 84048078

2-(2,2-dimethyl-1,3-dioxan-5-yl)ethan-1-amine

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC1(OCC(CO1)CCN)C
InChI
InChI=1S/C8H17NO2/c1-8(2)10-5-7(3-4-9)6-11-8/h7H,3-6,9H2,1-2H3
InChIKey
HQMYMPZFVWYHBK-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3-dioxan-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 135.8
[M+Na]+ 182.11515 141.6
[M-H]- 158.11865 139.8
[M+NH4]+ 177.15975 155.6
[M+K]+ 198.08909 143.3
[M+H-H2O]+ 142.12319 130.8
[M+HCOO]- 204.12413 155.2
[M+CH3COO]- 218.13978 178.4
[M+Na-2H]- 180.10060 143.1
[M]+ 159.12538 134.1
[M]- 159.12648 134.1
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

No patent data available for this compound.