CID 98998

75024-29-2

Structural Information

Molecular Formula
C13H18O
SMILES
CC(C)C1=CC=C(C=C1)C(C2CC2)O
InChI
InChI=1S/C13H18O/c1-9(2)10-3-5-11(6-4-10)13(14)12-7-8-12/h3-6,9,12-14H,7-8H2,1-2H3
InChIKey
HNDQBKBGKHSREF-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-propan-2-ylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 139.2
[M+Na]+ 213.124988 146.8
[M-H]- 189.128494 145.4
[M+NH4]+ 208.169593 153.5
[M+K]+ 229.098928 143.8
[M+H-H2O]+ 173.133030 132.9
[M+HCOO]- 235.133971 160.0
[M+CH3COO]- 249.149621 187.3
[M+Na-2H]- 211.110436 142.7
[M]+ 190.13522142 140.5
[M]- 190.13631858 140.5
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

patents stripe