CID 117591

25652-10-2

Structural Information

Molecular Formula
C10H21NO4
SMILES
CCC(CC)(CO)COC(=O)N(C)OC
InChI
InChI=1S/C10H21NO4/c1-5-10(6-2,7-12)8-15-9(13)11(3)14-4/h12H,5-8H2,1-4H3
InChIKey
YWQOTUHPZDSZMT-UHFFFAOYSA-N
Compound name
[2-ethyl-2-(hydroxymethyl)butyl] N-methoxy-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15434 151.0
[M+Na]+ 242.13628 157.6
[M+NH4]+ 237.18088 156.1
[M+K]+ 258.11022 155.1
[M-H]- 218.13978 148.2
[M+Na-2H]- 240.12173 152.0
[M]+ 219.14651 150.7
[M]- 219.14761 150.7
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.