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

1021
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 126.2
[M+Na]+ 150.08894 133.3
[M-H]- 126.09244 128.6
[M+NH4]+ 145.13354 147.5
[M+K]+ 166.06288 133.9
[M+H-H2O]+ 110.09698 120.2
[M+HCOO]- 172.09792 148.6
[M+CH3COO]- 186.11357 170.4
[M+Na-2H]- 148.07439 133.0
[M]+ 127.09917 127.1
[M]- 127.10027 127.1
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