CID 117261

Brn 3052410

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCC(C)C(C)(COC(=O)N)COC(=O)N(C)C
InChI
InChI=1S/C12H24N2O4/c1-6-9(2)12(3,7-17-10(13)15)8-18-11(16)14(4)5/h9H,6-8H2,1-5H3,(H2,13,15)
InChIKey
PMMKVFWFTRDMLW-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] N,N-dimethylcarbamate
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]+ 261.180876 163.4
[M+Na]+ 283.162818 167.0
[M-H]- 259.166324 164.1
[M+NH4]+ 278.207423 180.0
[M+K]+ 299.136758 169.1
[M+H-H2O]+ 243.170860 157.3
[M+HCOO]- 305.171801 184.1
[M+CH3COO]- 319.187451 205.1
[M+Na-2H]- 281.148266 163.3
[M]+ 260.17305142 167.3
[M]- 260.17414858 167.3
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.