CID 132327801

2126160-38-9

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1COCCC12CNCC3=CC=CC=C3O2
InChI
InChI=1S/C13H17NO2/c1-2-4-12-11(3-1)9-14-10-13(16-12)5-7-15-8-6-13/h1-4,14H,5-10H2
InChIKey
CFJJLQINJPGIPA-UHFFFAOYSA-N
Compound name
spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-oxane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 145.4
[M+Na]+ 242.11515 149.0
[M-H]- 218.11865 150.3
[M+NH4]+ 237.15975 160.7
[M+K]+ 258.08909 150.7
[M+H-H2O]+ 202.12319 138.4
[M+HCOO]- 264.12413 158.2
[M+CH3COO]- 278.13978 155.7
[M+Na-2H]- 240.10060 153.9
[M]+ 219.12538 136.7
[M]- 219.12648 136.7
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

No patent data available for this compound.