CID 12209630

2-n-butyl-2-oxazoline

Structural Information

Molecular Formula
C7H13NO
SMILES
CCCCC1=NCCO1
InChI
InChI=1S/C7H13NO/c1-2-3-4-7-8-5-6-9-7/h2-6H2,1H3
InChIKey
VERUITIRUQLVOC-UHFFFAOYSA-N
Compound name
2-butyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

860
Patents

127.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.5
[M+Na]+ 150.08894 137.6
[M+NH4]+ 145.13354 135.2
[M+K]+ 166.06288 133.5
[M-H]- 126.09244 128.8
[M+Na-2H]- 148.07439 131.6
[M]+ 127.09917 128.6
[M]- 127.10027 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe