CID 178244293

1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethane-1,2-diol

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC1CC(N=C(O1)C(CO)O)(C)C
InChI
InChI=1S/C9H17NO3/c1-6-4-9(2,3)10-8(13-6)7(12)5-11/h6-7,11-12H,4-5H2,1-3H3
InChIKey
SWPHMIRABKAWNN-UHFFFAOYSA-N
Compound name
1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 141.3
[M+Na]+ 210.110068 148.3
[M-H]- 186.113574 141.7
[M+NH4]+ 205.154673 159.4
[M+K]+ 226.084008 148.3
[M+H-H2O]+ 170.118110 136.3
[M+HCOO]- 232.119051 157.4
[M+CH3COO]- 246.134701 178.4
[M+Na-2H]- 208.095516 146.2
[M]+ 187.12030142 140.6
[M]- 187.12139858 140.6
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.