CID 6483425

4-[5-(3-methyl-5-isoxazolyl)pentyloxy]benzaldehyde

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C=O
InChI
InChI=1S/C16H19NO3/c1-13-11-16(20-17-13)5-3-2-4-10-19-15-8-6-14(12-18)7-9-15/h6-9,11-12H,2-5,10H2,1H3
InChIKey
MHRTUAHRKRSQPY-UHFFFAOYSA-N
Compound name
4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

273.1365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.3
[M+Na]+ 296.12572 171.0
[M-H]- 272.12922 169.2
[M+NH4]+ 291.17032 178.7
[M+K]+ 312.09966 168.7
[M+H-H2O]+ 256.13376 155.2
[M+HCOO]- 318.13470 186.4
[M+CH3COO]- 332.15035 198.0
[M+Na-2H]- 294.11117 167.1
[M]+ 273.13595 169.3
[M]- 273.13705 169.3
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

patents stripe