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
3
Annotation Hits

0
References

11275
Patents

157.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.5
[M+Na]+ 180.099498 141.7
[M-H]- 156.103004 137.1
[M+NH4]+ 175.144103 157.0
[M+K]+ 196.073438 142.5
[M+H-H2O]+ 140.107540 130.2
[M+HCOO]- 202.108481 160.1
[M+CH3COO]- 216.124131 183.9
[M+Na-2H]- 178.084946 139.8
[M]+ 157.10973142 138.8
[M]- 157.11082858 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