CID 104958525

1592016-15-3

Structural Information

Molecular Formula
C9H17NO2
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC2CO2
InChI
InChI=1S/C9H17NO2/c1-7-3-10(4-8(2)12-7)5-9-6-11-9/h7-9H,3-6H2,1-2H3/t7-,8+,9?
InChIKey
XSNUGTDPHXUKCZ-JVHMLUBASA-N
Compound name
(2R,6S)-2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 142.2
[M+Na]+ 194.11515 150.6
[M-H]- 170.11865 149.5
[M+NH4]+ 189.15975 154.3
[M+K]+ 210.08909 151.3
[M+H-H2O]+ 154.12319 134.6
[M+HCOO]- 216.12413 159.9
[M+CH3COO]- 230.13978 183.4
[M+Na-2H]- 192.10060 147.9
[M]+ 171.12538 144.4
[M]- 171.12648 144.4
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.