CID 80111

Metuchen

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCC(CC)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C9H18N2O4/c1-3-9(4-2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKey
VSYMNDBTCKIDLT-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethylbutyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

96
References

3262
Patents

218.12666 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 149.7
[M+Na]+ 241.11588 154.7
[M+NH4]+ 236.16048 153.8
[M+K]+ 257.08982 153.2
[M-H]- 217.11938 146.5
[M+Na-2H]- 239.10133 149.5
[M]+ 218.12611 148.8
[M]- 218.12721 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe