CID 59037

2-(1-morpholinomethyl)-4-(p-methylphenyl)furan hydrochloride

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC1=CC=C(C=C1)C2=COC(=C2)CN3CCOCC3
InChI
InChI=1S/C16H19NO2/c1-13-2-4-14(5-3-13)15-10-16(19-12-15)11-17-6-8-18-9-7-17/h2-5,10,12H,6-9,11H2,1H3
InChIKey
QEEMOQJKSNDAHZ-UHFFFAOYSA-N
Compound name
4-[[4-(4-methylphenyl)furan-2-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.5
[M+Na]+ 280.13079 165.5
[M-H]- 256.13429 168.6
[M+NH4]+ 275.17539 173.7
[M+K]+ 296.10473 164.1
[M+H-H2O]+ 240.13883 151.2
[M+HCOO]- 302.13977 178.3
[M+CH3COO]- 316.15542 171.3
[M+Na-2H]- 278.11624 162.9
[M]+ 257.14102 158.5
[M]- 257.14212 158.5
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.