CID 44937

63884-49-1

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]+ 204.15943 149.3
[M+Na]+ 226.14137 154.4
[M-H]- 202.14487 149.3
[M+NH4]+ 221.18597 168.4
[M+K]+ 242.11531 155.3
[M+H-H2O]+ 186.14941 144.2
[M+HCOO]- 248.15035 170.3
[M+CH3COO]- 262.16600 189.8
[M+Na-2H]- 224.12682 152.8
[M]+ 203.15160 153.0
[M]- 203.15270 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.