CID 213165

Dimethylcarbamic acid 2-(hydroxymethyl)butyl ester carbamate (ester)

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCC(COC(=O)N)COC(=O)N(C)C
InChI
InChI=1S/C9H18N2O4/c1-4-7(5-14-8(10)12)6-15-9(13)11(2)3/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKey
TWWOBESSFAFJFD-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)butyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12666 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.133936 151.3
[M+Na]+ 241.115878 155.6
[M-H]- 217.119384 152.1
[M+NH4]+ 236.160483 169.4
[M+K]+ 257.089818 157.9
[M+H-H2O]+ 201.123920 144.8
[M+HCOO]- 263.124861 174.4
[M+CH3COO]- 277.140511 195.8
[M+Na-2H]- 239.101326 151.6
[M]+ 218.12611142 154.4
[M]- 218.12720858 154.4
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.