CID 117591

Brn 3049178

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]+ 220.154336 151.9
[M+Na]+ 242.136278 156.9
[M-H]- 218.139784 151.9
[M+NH4]+ 237.180883 170.3
[M+K]+ 258.110218 158.3
[M+H-H2O]+ 202.144320 146.6
[M+HCOO]- 264.145261 173.1
[M+CH3COO]- 278.160911 191.8
[M+Na-2H]- 240.121726 155.5
[M]+ 219.14651142 157.1
[M]- 219.14760858 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.