CID 82447

10196-75-5

Structural Information

Molecular Formula
C9H18N2O
SMILES
CCN(CC)CNC(=O)C(=C)C
InChI
InChI=1S/C9H18N2O/c1-5-11(6-2)7-10-9(12)8(3)4/h3,5-7H2,1-2,4H3,(H,10,12)
InChIKey
IQBHTRVNLWHNBL-UHFFFAOYSA-N
Compound name
N-(diethylaminomethyl)-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

170.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 142.3
[M+Na]+ 193.131118 147.0
[M-H]- 169.134624 143.7
[M+NH4]+ 188.175723 162.8
[M+K]+ 209.105058 147.5
[M+H-H2O]+ 153.139160 136.4
[M+HCOO]- 215.140101 166.3
[M+CH3COO]- 229.155751 190.6
[M+Na-2H]- 191.116566 144.9
[M]+ 170.14135142 143.0
[M]- 170.14244858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.