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]+ 189.127396 135.1
[M+Na]+ 211.109338 140.3
[M-H]- 187.112844 142.4
[M+NH4]+ 206.153943 144.9
[M+K]+ 227.083278 142.5
[M+H-H2O]+ 171.117380 122.4
[M+HCOO]- 233.118321 152.9
[M+CH3COO]- 247.133971 191.7
[M+Na-2H]- 209.094786 142.4
[M]+ 188.11957142 148.5
[M]- 188.12066858 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.