CID 120043

28770-01-6

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)C1N(CCO1)CCO
InChI
InChI=1S/C8H17NO2/c1-7(2)8-9(3-5-10)4-6-11-8/h7-8,10H,3-6H2,1-2H3
InChIKey
DZARITHRMKPIQB-UHFFFAOYSA-N
Compound name
2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

448
Patents

159.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.0
[M+Na]+ 182.11515 142.9
[M-H]- 158.11865 138.0
[M+NH4]+ 177.15975 156.4
[M+K]+ 198.08909 143.3
[M+H-H2O]+ 142.12319 131.3
[M+HCOO]- 204.12413 155.4
[M+CH3COO]- 218.13978 175.1
[M+Na-2H]- 180.10060 139.9
[M]+ 159.12538 136.2
[M]- 159.12648 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe