CID 77452

3845-76-9

Structural Information

Molecular Formula
C8H16N2O
SMILES
CN(C)CCCNC(=O)C=C
InChI
InChI=1S/C8H16N2O/c1-4-8(11)9-6-5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKey
ADTJPOBHAXXXFS-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

21901
Patents

156.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 137.2
[M+Na]+ 179.115488 142.4
[M-H]- 155.118994 138.6
[M+NH4]+ 174.160093 158.2
[M+K]+ 195.089428 142.7
[M+H-H2O]+ 139.123530 131.4
[M+HCOO]- 201.124471 162.5
[M+CH3COO]- 215.140121 186.7
[M+Na-2H]- 177.100936 141.5
[M]+ 156.12572142 138.1
[M]- 156.12681858 138.1
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