CID 213448

26345-29-9

Structural Information

Molecular Formula
C12H25NO3
SMILES
CCCC(C)(CO)COC(=O)N(CC)CC
InChI
InChI=1S/C12H25NO3/c1-5-8-12(4,9-14)10-16-11(15)13(6-2)7-3/h14H,5-10H2,1-4H3
InChIKey
JFDODGJIADCKIE-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.190716 158.6
[M+Na]+ 254.172658 162.9
[M-H]- 230.176164 158.3
[M+NH4]+ 249.217263 176.6
[M+K]+ 270.146598 163.3
[M+H-H2O]+ 214.180700 153.2
[M+HCOO]- 276.181641 178.9
[M+CH3COO]- 290.197291 195.8
[M+Na-2H]- 252.158106 161.1
[M]+ 231.18289142 163.1
[M]- 231.18398858 163.1
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.