CID 6433955

Brn 2661005

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
CCCOC1=C(C=C(C=C1)/C=C/C(=O)NO)Cl
InChI
InChI=1S/C12H14ClNO3/c1-2-7-17-11-5-3-9(8-10(11)13)4-6-12(15)14-16/h3-6,8,16H,2,7H2,1H3,(H,14,15)/b6-4+
InChIKey
VJMGTIWUJWAAPO-GQCTYLIASA-N
Compound name
(E)-3-(3-chloro-4-propoxyphenyl)-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06622 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 155.1
[M+Na]+ 278.05544 162.9
[M-H]- 254.05894 157.4
[M+NH4]+ 273.10004 172.4
[M+K]+ 294.02938 158.2
[M+H-H2O]+ 238.06348 149.9
[M+HCOO]- 300.06442 173.8
[M+CH3COO]- 314.08007 192.7
[M+Na-2H]- 276.04089 158.4
[M]+ 255.06567 158.4
[M]- 255.06677 158.4
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.