CID 117577

Brn 3050321

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(COC(=O)N)COC(=O)N(C)C
InChI
InChI=1S/C9H18N2O4/c1-9(2,5-14-7(10)12)6-15-8(13)11(3)4/h5-6H2,1-4H3,(H2,10,12)
InChIKey
MGZOLDRJCCCSOA-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2,2-dimethylpropyl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12666 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.133936 149.6
[M+Na]+ 241.115878 154.7
[M-H]- 217.119384 150.7
[M+NH4]+ 236.160483 167.9
[M+K]+ 257.089818 156.8
[M+H-H2O]+ 201.123920 143.9
[M+HCOO]- 263.124861 172.2
[M+CH3COO]- 277.140511 195.1
[M+Na-2H]- 239.101326 152.2
[M]+ 218.12611142 153.0
[M]- 218.12720858 153.0
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.