CID 3017753

Schembl34096

Structural Information

Molecular Formula
C9H18N2O
SMILES
CCC(NC(=O)C(=C)C)N(C)C
InChI
InChI=1S/C9H18N2O/c1-6-8(11(4)5)10-9(12)7(2)3/h8H,2,6H2,1,3-5H3,(H,10,12)
InChIKey
RIDZYAFATUPRFW-UHFFFAOYSA-N
Compound name
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2697
Patents

170.1419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 142.6
[M+Na]+ 193.131118 147.0
[M-H]- 169.134624 144.0
[M+NH4]+ 188.175723 162.9
[M+K]+ 209.105058 148.0
[M+H-H2O]+ 153.139160 136.8
[M+HCOO]- 215.140101 165.5
[M+CH3COO]- 229.155751 191.6
[M+Na-2H]- 191.116566 143.8
[M]+ 170.14135142 142.6
[M]- 170.14244858 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.