CID 121553385

1-phenyl-7-oxa-2-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C13H17NO
SMILES
C1COCCC12CNC2C3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c1-2-4-11(5-3-1)12-13(10-14-12)6-8-15-9-7-13/h1-5,12,14H,6-10H2
InChIKey
QXAJILBHGRNHBN-UHFFFAOYSA-N
Compound name
3-phenyl-7-oxa-2-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 140.0
[M+Na]+ 226.12023 144.1
[M-H]- 202.12373 145.6
[M+NH4]+ 221.16483 151.2
[M+K]+ 242.09417 144.8
[M+H-H2O]+ 186.12827 127.8
[M+HCOO]- 248.12921 155.5
[M+CH3COO]- 262.14486 151.0
[M+Na-2H]- 224.10568 147.4
[M]+ 203.13046 142.2
[M]- 203.13156 142.2
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.