CID 155977789

2-phenylspiro[3.3]heptan-2-ol

Structural Information

Molecular Formula
C13H16O
SMILES
C1CC2(C1)CC(C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C13H16O/c14-13(11-5-2-1-3-6-11)9-12(10-13)7-4-8-12/h1-3,5-6,14H,4,7-10H2
InChIKey
MYAGDIUUFKBJNL-UHFFFAOYSA-N
Compound name
2-phenylspiro[3.3]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 135.1
[M+Na]+ 211.10934 140.3
[M-H]- 187.11284 142.4
[M+NH4]+ 206.15394 144.9
[M+K]+ 227.08328 142.5
[M+H-H2O]+ 171.11738 122.4
[M+HCOO]- 233.11832 152.9
[M+CH3COO]- 247.13397 191.7
[M+Na-2H]- 209.09479 142.4
[M]+ 188.11957 148.5
[M]- 188.12067 148.5
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.