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 151.9
[M+Na]+ 242.13628 156.9
[M-H]- 218.13978 151.9
[M+NH4]+ 237.18088 170.3
[M+K]+ 258.11022 158.3
[M+H-H2O]+ 202.14432 146.6
[M+HCOO]- 264.14526 173.1
[M+CH3COO]- 278.16091 191.8
[M+Na-2H]- 240.12173 155.5
[M]+ 219.14651 157.1
[M]- 219.14761 157.1
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.