CID 58414972

2305253-17-0

Structural Information

Molecular Formula
C13H17NO
SMILES
C1C(CC12CNC2)OCC3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c1-2-4-11(5-3-1)8-15-12-6-13(7-12)9-14-10-13/h1-5,12,14H,6-10H2
InChIKey
DZYPAQIYPIBEFQ-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 145.0
[M+Na]+ 226.12023 148.0
[M+NH4]+ 221.16483 147.3
[M+K]+ 242.09417 143.7
[M-H]- 202.12373 143.5
[M+Na-2H]- 224.10568 148.8
[M]+ 203.13046 143.0
[M]- 203.13156 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe