CID 82447

Dtxsid301384715

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]+ 171.14918 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.