CID 6447689

4-morpholineethanol, alpha-(p-(2-propynyloxy)styryl)-, hydrochloride

Structural Information

Molecular Formula
C17H21NO3
SMILES
C#CCOC1=CC=C(C=C1)/C=C/C(CN2CCOCC2)O
InChI
InChI=1S/C17H21NO3/c1-2-11-21-17-7-4-15(5-8-17)3-6-16(19)14-18-9-12-20-13-10-18/h1,3-8,16,19H,9-14H2/b6-3+
InChIKey
ULWSWOVUCIINKF-ZZXKWVIFSA-N
Compound name
(E)-1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 165.9
[M+Na]+ 310.141348 172.0
[M-H]- 286.144854 166.7
[M+NH4]+ 305.185953 176.0
[M+K]+ 326.115288 166.8
[M+H-H2O]+ 270.149390 151.3
[M+HCOO]- 332.150331 176.1
[M+CH3COO]- 346.165981 203.6
[M+Na-2H]- 308.126796 167.2
[M]+ 287.15158142 158.3
[M]- 287.15267858 158.3
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.