CID 116754

71205-49-7

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC1(CN(C(=O)NC1OC)CO)C
InChI
InChI=1S/C8H16N2O3/c1-8(2)4-10(5-11)7(12)9-6(8)13-3/h6,11H,4-5H2,1-3H3,(H,9,12)
InChIKey
IFSGUMNVZNTKSD-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.11609 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 141.4
[M+Na]+ 211.10531 149.2
[M-H]- 187.10881 139.7
[M+NH4]+ 206.14991 159.5
[M+K]+ 227.07925 147.5
[M+H-H2O]+ 171.11335 136.0
[M+HCOO]- 233.11429 157.1
[M+CH3COO]- 247.12994 178.0
[M+Na-2H]- 209.09076 145.4
[M]+ 188.11554 139.1
[M]- 188.11664 139.1
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.