CID 3018236

71686-02-7

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CC(C)(CN1CCCN(C1=O)CC(C)(C)CO)CO
InChI
InChI=1S/C14H28N2O3/c1-13(2,10-17)8-15-6-5-7-16(12(15)19)9-14(3,4)11-18/h17-18H,5-11H2,1-4H3
InChIKey
DIDLCHLFJFQPII-UHFFFAOYSA-N
Compound name
1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.21 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.217276 169.8
[M+Na]+ 295.199218 173.9
[M-H]- 271.202724 166.9
[M+NH4]+ 290.243823 182.4
[M+K]+ 311.173158 171.5
[M+H-H2O]+ 255.207260 163.5
[M+HCOO]- 317.208201 180.3
[M+CH3COO]- 331.223851 196.3
[M+Na-2H]- 293.184666 172.0
[M]+ 272.20945142 168.0
[M]- 272.21054858 168.0
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.