CID 20266

Tybamate

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCCCNC(=O)OCC(C)(CCC)COC(=O)N
InChI
InChI=1S/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)
InChIKey
PRBORDFJHHAISJ-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

1789
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 167.1
[M+Na]+ 297.17849 171.5
[M+NH4]+ 292.22309 170.7
[M+K]+ 313.15243 168.9
[M-H]- 273.18199 163.9
[M+Na-2H]- 295.16394 166.4
[M]+ 274.18872 166.1
[M]- 274.18982 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe