CID 3020488

85187-16-2

Structural Information

Molecular Formula
C18H28O
SMILES
CC1CCC(C1(C)C)CCCC(C2=CC=CC=C2)O
InChI
InChI=1S/C18H28O/c1-14-12-13-16(18(14,2)3)10-7-11-17(19)15-8-5-4-6-9-15/h4-6,8-9,14,16-17,19H,7,10-13H2,1-3H3
InChIKey
RRRMRASQZQTKRU-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.21402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22130 166.1
[M+Na]+ 283.20324 171.0
[M-H]- 259.20674 170.8
[M+NH4]+ 278.24784 186.1
[M+K]+ 299.17718 167.0
[M+H-H2O]+ 243.21128 160.1
[M+HCOO]- 305.21222 184.8
[M+CH3COO]- 319.22787 196.7
[M+Na-2H]- 281.18869 165.6
[M]+ 260.21347 164.5
[M]- 260.21457 164.5
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.