CID 3058298

Phenol, 2-cyclopropyl-6-isopropyl-

Structural Information

Molecular Formula
C12H16O
SMILES
CC(C)C1=CC=CC(=C1O)C2CC2
InChI
InChI=1S/C12H16O/c1-8(2)10-4-3-5-11(12(10)13)9-6-7-9/h3-5,8-9,13H,6-7H2,1-2H3
InChIKey
IBRFCFDKAWTDFL-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

176.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 135.0
[M+Na]+ 199.10934 144.2
[M-H]- 175.11284 141.7
[M+NH4]+ 194.15394 150.2
[M+K]+ 215.08328 140.9
[M+H-H2O]+ 159.11738 129.0
[M+HCOO]- 221.11832 157.0
[M+CH3COO]- 235.13397 184.7
[M+Na-2H]- 197.09479 139.5
[M]+ 176.11957 136.9
[M]- 176.12067 136.9
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