CID 19088476

Ethyl 3-methyl-3-(methylamino)butanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCOC(=O)CC(C)(C)NC
InChI
InChI=1S/C8H17NO2/c1-5-11-7(10)6-8(2,3)9-4/h9H,5-6H2,1-4H3
InChIKey
FDWGVTSFQVTKFB-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-3-(methylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

159.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.0
[M+Na]+ 182.115148 143.1
[M-H]- 158.118654 137.3
[M+NH4]+ 177.159753 157.9
[M+K]+ 198.089088 143.5
[M+H-H2O]+ 142.123190 132.4
[M+HCOO]- 204.124131 159.4
[M+CH3COO]- 218.139781 181.5
[M+Na-2H]- 180.100596 142.7
[M]+ 159.12538142 139.2
[M]- 159.12647858 139.2
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

patents stripe