CID 117187

25384-53-6

Structural Information

Molecular Formula
C12H25NO3
SMILES
CCCCC(CC)(CO)COC(=O)NCC
InChI
InChI=1S/C12H25NO3/c1-4-7-8-12(5-2,9-14)10-16-11(15)13-6-3/h14H,4-10H2,1-3H3,(H,13,15)
InChIKey
NLQAPNFYYXMZEG-UHFFFAOYSA-N
Compound name
[2-ethyl-2-(hydroxymethyl)hexyl] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.190716 159.1
[M+Na]+ 254.172658 163.1
[M-H]- 230.176164 157.2
[M+NH4]+ 249.217263 176.3
[M+K]+ 270.146598 162.0
[M+H-H2O]+ 214.180700 153.7
[M+HCOO]- 276.181641 178.8
[M+CH3COO]- 290.197291 192.4
[M+Na-2H]- 252.158106 162.2
[M]+ 231.18289142 162.2
[M]- 231.18398858 162.2
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.