CID 95103

4,4-dimethyl-2-undecyl-2-oxazoline

Structural Information

Molecular Formula
C16H31NO
SMILES
CCCCCCCCCCCC1=NC(CO1)(C)C
InChI
InChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h4-14H2,1-3H3
InChIKey
FREPJBZLNPPGDM-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-undecyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

364
Patents

253.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.24785 165.2
[M+Na]+ 276.22979 170.4
[M-H]- 252.23329 166.8
[M+NH4]+ 271.27439 183.8
[M+K]+ 292.20373 168.8
[M+H-H2O]+ 236.23783 158.7
[M+HCOO]- 298.23877 184.7
[M+CH3COO]- 312.25442 198.1
[M+Na-2H]- 274.21524 167.7
[M]+ 253.24002 170.1
[M]- 253.24112 170.1
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