CID 53423338

86177-97-1

Structural Information

Molecular Formula
C9H19NO3
SMILES
CC(COC)C(=O)OCCN(C)C
InChI
InChI=1S/C9H19NO3/c1-8(7-12-4)9(11)13-6-5-10(2)3/h8H,5-7H2,1-4H3
InChIKey
WWVAJZVBKDVYLH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-methoxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.13649 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.143766 145.0
[M+Na]+ 212.125708 150.2
[M-H]- 188.129214 146.4
[M+NH4]+ 207.170313 165.1
[M+K]+ 228.099648 152.3
[M+H-H2O]+ 172.133750 139.2
[M+HCOO]- 234.134691 168.3
[M+CH3COO]- 248.150341 190.7
[M+Na-2H]- 210.111156 147.4
[M]+ 189.13594142 150.2
[M]- 189.13703858 150.2
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