CID 117207

Brn 3052421

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CC(C)C(C)(COC(=O)N)COC(=O)NC(C)C
InChI
InChI=1S/C12H24N2O4/c1-8(2)12(5,6-17-10(13)15)7-18-11(16)14-9(3)4/h8-9H,6-7H2,1-5H3,(H2,13,15)(H,14,16)
InChIKey
JJVXIAKMZKNEBD-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2,3-dimethylbutyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18088 163.9
[M+Na]+ 283.16282 167.1
[M-H]- 259.16632 163.1
[M+NH4]+ 278.20742 179.8
[M+K]+ 299.13676 168.3
[M+H-H2O]+ 243.17086 158.0
[M+HCOO]- 305.17180 183.1
[M+CH3COO]- 319.18745 202.6
[M+Na-2H]- 281.14827 163.2
[M]+ 260.17305 165.8
[M]- 260.17415 165.8
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.