CID 5288082

Alpha-mhdac

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=C(\C)/C(=O)O)O
InChI
InChI=1S/C14H19NO3/c1-4-15(5-2)12-7-6-11(13(16)9-12)8-10(3)14(17)18/h6-9,16H,4-5H2,1-3H3,(H,17,18)/b10-8+
InChIKey
JAEWDFYDSACHDN-CSKARUKUSA-N
Compound name
(E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

249.13649 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.4
[M+Na]+ 272.12571 164.0
[M-H]- 248.12921 160.6
[M+NH4]+ 267.17031 174.8
[M+K]+ 288.09965 161.9
[M+H-H2O]+ 232.13375 152.1
[M+HCOO]- 294.13469 178.9
[M+CH3COO]- 308.15034 197.5
[M+Na-2H]- 270.11116 158.6
[M]+ 249.13594 159.2
[M]- 249.13704 159.2
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

patents stripe