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]+ 232.19072 158.6
[M+Na]+ 254.17266 162.9
[M-H]- 230.17616 158.3
[M+NH4]+ 249.21726 176.6
[M+K]+ 270.14660 163.3
[M+H-H2O]+ 214.18070 153.2
[M+HCOO]- 276.18164 178.9
[M+CH3COO]- 290.19729 195.8
[M+Na-2H]- 252.15811 161.1
[M]+ 231.18289 163.1
[M]- 231.18399 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.