CID 6434091

Brn 2263667

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
CC(CNC(=O)/C=C/C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C12H14ClNO2/c1-9(15)8-14-12(16)7-4-10-2-5-11(13)6-3-10/h2-7,9,15H,8H2,1H3,(H,14,16)/b7-4+
InChIKey
SVLVGTSFQFZIBO-QPJJXVBHSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.0713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 153.0
[M+Na]+ 262.06052 159.8
[M-H]- 238.06402 155.1
[M+NH4]+ 257.10512 170.6
[M+K]+ 278.03446 154.9
[M+H-H2O]+ 222.06856 147.9
[M+HCOO]- 284.06950 170.5
[M+CH3COO]- 298.08515 190.3
[M+Na-2H]- 260.04597 155.7
[M]+ 239.07075 153.9
[M]- 239.07185 153.9
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

No patent data available for this compound.