CID 165751307

2803863-18-3

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CNC12CC(C2)OCC3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c1-2-4-11(5-3-1)10-15-12-8-13(9-12)6-7-14-13/h1-5,12,14H,6-10H2
InChIKey
UFZHPRPTQBRTNP-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-1-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 135.9
[M+Na]+ 226.120228 140.0
[M-H]- 202.123734 141.1
[M+NH4]+ 221.164833 142.0
[M+K]+ 242.094168 142.5
[M+H-H2O]+ 186.128270 120.8
[M+HCOO]- 248.129211 152.5
[M+CH3COO]- 262.144861 194.2
[M+Na-2H]- 224.105676 142.5
[M]+ 203.13046142 149.4
[M]- 203.13155858 149.4
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.