CID 86301664

Cipepofol

Structural Information

Molecular Formula
C14H20O
SMILES
C[C@H](C1CC1)C2=CC=CC(=C2O)C(C)C
InChI
InChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1
InChIKey
BMEARIQHWSVDBS-SNVBAGLBSA-N
Compound name
2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

78
Patents

204.15141 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 142.7
[M+Na]+ 227.140628 150.8
[M-H]- 203.144134 149.1
[M+NH4]+ 222.185233 156.8
[M+K]+ 243.114568 147.5
[M+H-H2O]+ 187.148670 136.6
[M+HCOO]- 249.149611 163.2
[M+CH3COO]- 263.165261 191.3
[M+Na-2H]- 225.126076 145.1
[M]+ 204.15086142 144.8
[M]- 204.15195858 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe