CID 3019269

83763-25-1

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C2CC2)O
InChI
InChI=1S/C14H20O/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h6-10,13,15H,4-5H2,1-3H3
InChIKey
MWCIRDOGSTYYAM-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)-cyclopropylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 143.5
[M+Na]+ 227.140628 151.5
[M-H]- 203.144134 149.8
[M+NH4]+ 222.185233 157.6
[M+K]+ 243.114568 148.3
[M+H-H2O]+ 187.148670 137.7
[M+HCOO]- 249.149611 163.4
[M+CH3COO]- 263.165261 189.0
[M+Na-2H]- 225.126076 148.4
[M]+ 204.15086142 145.3
[M]- 204.15195858 145.3
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