CID 201905

7088-17-7

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC1=CC=C(C=C1)C23CCC(=O)N2CCCO3
InChI
InChI=1S/C14H17NO2/c1-11-3-5-12(6-4-11)14-8-7-13(16)15(14)9-2-10-17-14/h3-6H,2,7-10H2,1H3
InChIKey
WLZOVDLKCXHTKP-UHFFFAOYSA-N
Compound name
8a-(4-methylphenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 152.8
[M+Na]+ 254.11515 165.3
[M+NH4]+ 249.15975 163.4
[M+K]+ 270.08909 158.3
[M-H]- 230.11865 157.8
[M+Na-2H]- 252.10060 159.5
[M]+ 231.12538 156.1
[M]- 231.12648 156.1
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

No patent data available for this compound.