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 151.6
[M+Na]+ 254.11515 158.7
[M-H]- 230.11865 158.0
[M+NH4]+ 249.15975 171.5
[M+K]+ 270.08909 156.5
[M+H-H2O]+ 214.12319 144.5
[M+HCOO]- 276.12413 169.3
[M+CH3COO]- 290.13978 163.9
[M+Na-2H]- 252.10060 156.3
[M]+ 231.12538 148.8
[M]- 231.12648 148.8
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.