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]+ 275.19655 168.3
[M+Na]+ 297.17849 171.3
[M-H]- 273.18199 166.5
[M+NH4]+ 292.22309 183.3
[M+K]+ 313.15243 170.7
[M+H-H2O]+ 257.18653 161.8
[M+HCOO]- 319.18747 188.3
[M+CH3COO]- 333.20312 203.9
[M+Na-2H]- 295.16394 168.4
[M]+ 274.18872 170.8
[M]- 274.18982 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.