CID 212916

Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CCCCCNC(=O)OCC(C)(CCC)COC(=O)N
InChI
InChI=1S/C14H28N2O4/c1-4-6-7-9-16-13(18)20-11-14(3,8-5-2)10-19-12(15)17/h4-11H2,1-3H3,(H2,15,17)(H,16,18)
InChIKey
ALKZEBDLPNIUHP-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-pentylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.2049 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 172.8
[M+Na]+ 311.19412 175.5
[M-H]- 287.19762 171.4
[M+NH4]+ 306.23872 187.6
[M+K]+ 327.16806 175.1
[M+H-H2O]+ 271.20216 166.2
[M+HCOO]- 333.20310 193.2
[M+CH3COO]- 347.21875 206.8
[M+Na-2H]- 309.17957 173.6
[M]+ 288.20435 176.7
[M]- 288.20545 176.7
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.