CID 17050

2-(diethylamino)ethyl acrylate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCN(CC)CCOC(=O)C=C
InChI
InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3
InChIKey
QHVBLSNVXDSMEB-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

27098
Patents

171.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.2
[M+Na]+ 194.115148 146.0
[M-H]- 170.118654 141.6
[M+NH4]+ 189.159753 161.1
[M+K]+ 210.089088 146.5
[M+H-H2O]+ 154.123190 134.7
[M+HCOO]- 216.124131 164.5
[M+CH3COO]- 230.139781 186.9
[M+Na-2H]- 192.100596 144.0
[M]+ 171.12538142 143.9
[M]- 171.12647858 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe