CID 212902

25384-36-5

Structural Information

Molecular Formula
C13H27NO3
SMILES
CCCCCNC(=O)OCC(C)(CCC)CO
InChI
InChI=1S/C13H27NO3/c1-4-6-7-9-14-12(16)17-11-13(3,10-15)8-5-2/h15H,4-11H2,1-3H3,(H,14,16)
InChIKey
JIDYTMFOTKUYDJ-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] N-pentylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.20638 161.8
[M+Na]+ 268.18832 168.1
[M+NH4]+ 263.23292 166.8
[M+K]+ 284.16226 163.8
[M-H]- 244.19182 159.1
[M+Na-2H]- 266.17377 162.2
[M]+ 245.19855 161.5
[M]- 245.19965 161.5
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.