CID 117203

2-methyl-2-propyl-1,3-propanediol carbamate 2-methylallylcarbamate

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)NCC(=C)C
InChI
InChI=1S/C13H24N2O4/c1-5-6-13(4,8-18-11(14)16)9-19-12(17)15-7-10(2)3/h2,5-9H2,1,3-4H3,(H2,14,16)(H,15,17)
InChIKey
RJQFSZABCNPBQY-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-(2-methylprop-2-enyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 167.0
[M+Na]+ 295.16282 170.2
[M-H]- 271.16632 166.0
[M+NH4]+ 290.20742 182.3
[M+K]+ 311.13676 170.0
[M+H-H2O]+ 255.17086 160.8
[M+HCOO]- 317.17180 187.0
[M+CH3COO]- 331.18745 203.8
[M+Na-2H]- 293.14827 167.1
[M]+ 272.17305 169.2
[M]- 272.17415 169.2
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.