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 152.4
[M+Na]+ 242.11515 162.8
[M+NH4]+ 237.15975 162.0
[M+K]+ 258.08909 156.1
[M-H]- 218.11865 157.6
[M+Na-2H]- 240.10060 158.3
[M]+ 219.12538 155.5
[M]- 219.12648 155.5
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.