CID 213057

25451-44-9

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCCCC(CCCC)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C13H26N2O4/c1-3-5-7-13(8-6-4-2,9-18-11(14)16)10-19-12(15)17/h3-10H2,1-2H3,(H2,14,16)(H2,15,17)
InChIKey
JIZPWHWFDXWYMF-UHFFFAOYSA-N
Compound name
[2-butyl-2-(carbamoyloxymethyl)hexyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 168.3
[M+Na]+ 297.178488 171.3
[M-H]- 273.181994 166.5
[M+NH4]+ 292.223093 183.3
[M+K]+ 313.152428 170.7
[M+H-H2O]+ 257.186530 161.8
[M+HCOO]- 319.187471 188.3
[M+CH3COO]- 333.203121 203.9
[M+Na-2H]- 295.163936 168.4
[M]+ 274.18872142 170.8
[M]- 274.18981858 170.8
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.