CID 44937

Mc 2679

Structural Information

Molecular Formula
C10H21NO3
SMILES
CCC(CC)(CO)COC(=O)N(C)C
InChI
InChI=1S/C10H21NO3/c1-5-10(6-2,7-12)8-14-9(13)11(3)4/h12H,5-8H2,1-4H3
InChIKey
VVNYEECDRVTLHM-UHFFFAOYSA-N
Compound name
[2-ethyl-2-(hydroxymethyl)butyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.159426 149.3
[M+Na]+ 226.141368 154.4
[M-H]- 202.144874 149.3
[M+NH4]+ 221.185973 168.4
[M+K]+ 242.115308 155.3
[M+H-H2O]+ 186.149410 144.2
[M+HCOO]- 248.150351 170.3
[M+CH3COO]- 262.166001 189.8
[M+Na-2H]- 224.126816 152.8
[M]+ 203.15160142 153.0
[M]- 203.15269858 153.0
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.