CID 118556578

1778671-11-6

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C1CC1(C)C(C)O)C2=CC=CC=C2
InChI
InChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-9-14(13,3)11(2)15/h4-8,10-11,13,15H,9H2,1-3H3
InChIKey
GOVFHSJWKJPKRE-UHFFFAOYSA-N
Compound name
1-[1-methyl-2-(1-phenylethyl)cyclopropyl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

204.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 144.2
[M+Na]+ 227.140628 152.1
[M-H]- 203.144134 150.6
[M+NH4]+ 222.185233 159.9
[M+K]+ 243.114568 149.9
[M+H-H2O]+ 187.148670 138.9
[M+HCOO]- 249.149611 164.3
[M+CH3COO]- 263.165261 189.7
[M+Na-2H]- 225.126076 148.2
[M]+ 204.15086142 146.3
[M]- 204.15195858 146.3
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

patents stripe