CID 114561

13747-12-1

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC1(CN(C(=O)N(C1OC)CO)CO)C
InChI
InChI=1S/C9H18N2O4/c1-9(2)4-10(5-12)8(14)11(6-13)7(9)15-3/h7,12-13H,4-6H2,1-3H3
InChIKey
VGBDEALNUKLDKK-UHFFFAOYSA-N
Compound name
1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

218.12666 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 147.6
[M+Na]+ 241.11588 155.8
[M-H]- 217.11938 146.1
[M+NH4]+ 236.16048 164.8
[M+K]+ 257.08982 154.5
[M+H-H2O]+ 201.12392 142.2
[M+HCOO]- 263.12486 163.2
[M+CH3COO]- 277.14051 184.6
[M+Na-2H]- 239.10133 150.6
[M]+ 218.12611 147.6
[M]- 218.12721 147.6
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

patents stripe