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]+ 204.138286 140.0
[M+Na]+ 226.120228 144.1
[M-H]- 202.123734 145.6
[M+NH4]+ 221.164833 151.2
[M+K]+ 242.094168 144.8
[M+H-H2O]+ 186.128270 127.8
[M+HCOO]- 248.129211 155.5
[M+CH3COO]- 262.144861 151.0
[M+Na-2H]- 224.105676 147.4
[M]+ 203.13046142 142.2
[M]- 203.13155858 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.