CID 87693

3-(dimethylamino)propyl acrylate

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN(C)CCCOC(=O)C=C
InChI
InChI=1S/C8H15NO2/c1-4-8(10)11-7-5-6-9(2)3/h4H,1,5-7H2,2-3H3
InChIKey
UFQHFMGRRVQFNA-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11580
Patents

157.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.5
[M+Na]+ 180.09950 141.7
[M-H]- 156.10300 137.1
[M+NH4]+ 175.14410 157.0
[M+K]+ 196.07344 142.5
[M+H-H2O]+ 140.10754 130.2
[M+HCOO]- 202.10848 160.1
[M+CH3COO]- 216.12413 183.9
[M+Na-2H]- 178.08495 139.8
[M]+ 157.10973 138.8
[M]- 157.11083 138.8
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