CID 78882

5205-93-6

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(=C)C(=O)NCCCN(C)C
InChI
InChI=1S/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12)
InChIKey
GDFCSMCGLZFNFY-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

34706
Patents

170.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 142.3
[M+Na]+ 193.13112 147.0
[M-H]- 169.13462 143.7
[M+NH4]+ 188.17572 162.8
[M+K]+ 209.10506 147.5
[M+H-H2O]+ 153.13916 136.4
[M+HCOO]- 215.14010 166.3
[M+CH3COO]- 229.15575 190.6
[M+Na-2H]- 191.11657 144.9
[M]+ 170.14135 143.0
[M]- 170.14245 143.0
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