CID 165883935

6-phenyl-1-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C12H15N
SMILES
C1CNC12CC(C2)C3=CC=CC=C3
InChI
InChI=1S/C12H15N/c1-2-4-10(5-3-1)11-8-12(9-11)6-7-13-12/h1-5,11,13H,6-9H2
InChIKey
CLGPHFCKVJHPAN-UHFFFAOYSA-N
Compound name
6-phenyl-1-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 137.2
[M+Na]+ 196.10967 140.9
[M+NH4]+ 191.15427 140.2
[M+K]+ 212.08361 136.4
[M-H]- 172.11317 136.2
[M+Na-2H]- 194.09512 141.8
[M]+ 173.11990 135.5
[M]- 173.12100 135.5
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.