CID 21118361

54762-86-6

Structural Information

Molecular Formula
C15H18O
SMILES
CC(=O)C1=CC=C(C=C1)[C@H]2C[C@H]3CC[C@@H]2C3
InChI
InChI=1S/C15H18O/c1-10(16)12-4-6-13(7-5-12)15-9-11-2-3-14(15)8-11/h4-7,11,14-15H,2-3,8-9H2,1H3/t11-,14+,15+/m0/s1
InChIKey
RIQCUGGXKQATJX-NILFDRSVSA-N
Compound name
1-[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13577 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.14305 151.6
[M+Na]+ 237.12499 158.1
[M-H]- 213.12849 157.6
[M+NH4]+ 232.16959 175.3
[M+K]+ 253.09893 154.5
[M+H-H2O]+ 197.13303 146.4
[M+HCOO]- 259.13397 171.9
[M+CH3COO]- 273.14962 164.3
[M+Na-2H]- 235.11044 152.1
[M]+ 214.13522 149.9
[M]- 214.13632 149.9
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.