CID 6445222

Brn 3055690

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCCC(C)(CNC(=O)O)COC(=O)NC/C=C/C
InChI
InChI=1S/C13H24N2O4/c1-4-6-8-14-12(18)19-10-13(3,7-5-2)9-15-11(16)17/h4,6,15H,5,7-10H2,1-3H3,(H,14,18)(H,16,17)/b6-4+
InChIKey
ONKSYNDVJFTYGI-GQCTYLIASA-N
Compound name
[2-[[(E)-but-2-enyl]carbamoyloxymethyl]-2-methylpentyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 166.6
[M+Na]+ 295.16282 170.9
[M+NH4]+ 290.20742 169.8
[M+K]+ 311.13676 168.2
[M-H]- 271.16632 162.9
[M+Na-2H]- 293.14827 165.7
[M]+ 272.17305 165.4
[M]- 272.17415 165.4
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.