CID 212904

25384-41-2

Structural Information

Molecular Formula
C16H33NO3
SMILES
CCCCN(CCCC)C(=O)OCC(C)(CCC)CO
InChI
InChI=1S/C16H33NO3/c1-5-8-11-17(12-9-6-2)15(19)20-14-16(4,13-18)10-7-3/h18H,5-14H2,1-4H3
InChIKey
CMBVQXWTMHCRGN-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] N,N-dibutylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.24603 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.25331 177.1
[M+Na]+ 310.23525 179.7
[M-H]- 286.23875 176.0
[M+NH4]+ 305.27985 192.8
[M+K]+ 326.20919 179.0
[M+H-H2O]+ 270.24329 170.8
[M+HCOO]- 332.24423 196.1
[M+CH3COO]- 346.25988 207.8
[M+Na-2H]- 308.22070 177.4
[M]+ 287.24548 183.1
[M]- 287.24658 183.1
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.