CID 6433956

Brn 2666909

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CC(C)CCOC1=C(C=C(C=C1)/C=C/C(=O)NO)Cl
InChI
InChI=1S/C14H18ClNO3/c1-10(2)7-8-19-13-5-3-11(9-12(13)15)4-6-14(17)16-18/h3-6,9-10,18H,7-8H2,1-2H3,(H,16,17)/b6-4+
InChIKey
CVMNGQUKPNSVQJ-GQCTYLIASA-N
Compound name
(E)-3-[3-chloro-4-(3-methylbutoxy)phenyl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09753 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10481 164.4
[M+Na]+ 306.08675 171.1
[M-H]- 282.09025 166.4
[M+NH4]+ 301.13135 180.4
[M+K]+ 322.06069 166.5
[M+H-H2O]+ 266.09479 158.9
[M+HCOO]- 328.09573 181.4
[M+CH3COO]- 342.11138 199.6
[M+Na-2H]- 304.07220 165.4
[M]+ 283.09698 167.9
[M]- 283.09808 167.9
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.