CID 3058303

74927-01-8

Structural Information

Molecular Formula
C13H18O
SMILES
CCC(C)C1=CC=CC(=C1O)C2CC2
InChI
InChI=1S/C13H18O/c1-3-9(2)11-5-4-6-12(13(11)14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3
InChIKey
AHDFGPJVGBBWNZ-UHFFFAOYSA-N
Compound name
2-butan-2-yl-6-cyclopropylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

190.13577 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 139.3
[M+Na]+ 213.12499 148.1
[M-H]- 189.12849 145.8
[M+NH4]+ 208.16959 154.0
[M+K]+ 229.09893 144.6
[M+H-H2O]+ 173.13303 133.1
[M+HCOO]- 235.13397 161.0
[M+CH3COO]- 249.14962 187.6
[M+Na-2H]- 211.11044 143.3
[M]+ 190.13522 141.6
[M]- 190.13632 141.6
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

No patent data available for this compound.