CID 6366012

Einecs 284-467-8

Structural Information

Molecular Formula
C12H23ClN2O
SMILES
CCN(CC)/C(=C(/C(=O)N(CC)CC)\Cl)/C
InChI
InChI=1S/C12H23ClN2O/c1-6-14(7-2)10(5)11(13)12(16)15(8-3)9-4/h6-9H2,1-5H3/b11-10-
InChIKey
DNCOGDDZCWZLQX-KHPPLWFESA-N
Compound name
(Z)-2-chloro-3-(diethylamino)-N,N-diethylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14989 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15717 162.4
[M+Na]+ 269.13911 166.7
[M-H]- 245.14261 164.8
[M+NH4]+ 264.18371 181.4
[M+K]+ 285.11305 166.0
[M+H-H2O]+ 229.14715 157.0
[M+HCOO]- 291.14809 180.6
[M+CH3COO]- 305.16374 207.1
[M+Na-2H]- 267.12456 161.0
[M]+ 246.14934 166.9
[M]- 246.15044 166.9
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.