CID 117214

Brn 3054438

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCCCC(C)(COC(=O)N)COC(=O)NC(C)C
InChI
InChI=1S/C13H26N2O4/c1-5-6-7-13(4,8-18-11(14)16)9-19-12(17)15-10(2)3/h10H,5-9H2,1-4H3,(H2,14,16)(H,15,17)
InChIKey
WIKXJKUZYYOTBP-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylhexyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 168.6
[M+Na]+ 297.17849 171.5
[M-H]- 273.18199 167.5
[M+NH4]+ 292.22309 183.9
[M+K]+ 313.15243 171.9
[M+H-H2O]+ 257.18653 162.3
[M+HCOO]- 319.18747 188.3
[M+CH3COO]- 333.20312 204.7
[M+Na-2H]- 295.16394 168.6
[M]+ 274.18872 171.5
[M]- 274.18982 171.5
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.