CID 101159

2-oxazoline, 5-methyl-2-undecyl-

Structural Information

Molecular Formula
C15H29NO
SMILES
CCCCCCCCCCCC1=NCC(O1)C
InChI
InChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14(2)17-15/h14H,3-13H2,1-2H3
InChIKey
LBGJZTWGFPNNRZ-UHFFFAOYSA-N
Compound name
5-methyl-2-undecyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.22491 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.23219 163.1
[M+Na]+ 262.21413 167.8
[M-H]- 238.21763 164.5
[M+NH4]+ 257.25873 180.2
[M+K]+ 278.18807 166.2
[M+H-H2O]+ 222.22217 155.9
[M+HCOO]- 284.22311 182.9
[M+CH3COO]- 298.23876 195.6
[M+Na-2H]- 260.19958 164.8
[M]+ 239.22436 167.4
[M]- 239.22546 167.4
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