CID 3297025

Oxazolidine, 3-butyl-2-(1-ethylpentyl)-

Structural Information

Molecular Formula
C14H29NO
SMILES
CCCCC(CC)C1N(CCO1)CCCC
InChI
InChI=1S/C14H29NO/c1-4-7-9-13(6-3)14-15(10-8-5-2)11-12-16-14/h13-14H,4-12H2,1-3H3
InChIKey
CYMHAQCMKNVHPA-UHFFFAOYSA-N
Compound name
3-butyl-2-heptan-3-yl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

168
Patents

227.22491 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.23219 161.3
[M+Na]+ 250.21413 165.1
[M-H]- 226.21763 162.6
[M+NH4]+ 245.25873 178.7
[M+K]+ 266.18807 164.4
[M+H-H2O]+ 210.22217 154.3
[M+HCOO]- 272.22311 178.9
[M+CH3COO]- 286.23876 193.8
[M+Na-2H]- 248.19958 161.3
[M]+ 227.22436 163.1
[M]- 227.22546 163.1
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