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

1
Patents

239.22491 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.232186 163.1
[M+Na]+ 262.214128 167.8
[M-H]- 238.217634 164.5
[M+NH4]+ 257.258733 180.2
[M+K]+ 278.188068 166.2
[M+H-H2O]+ 222.222170 155.9
[M+HCOO]- 284.223111 182.9
[M+CH3COO]- 298.238761 195.6
[M+Na-2H]- 260.199576 164.8
[M]+ 239.22436142 167.4
[M]- 239.22545858 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