CID 3019387

83833-29-8

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC(=C(C=C1)C(C2CC2)O)C
InChI
InChI=1S/C12H16O/c1-8-3-6-11(9(2)7-8)12(13)10-4-5-10/h3,6-7,10,12-13H,4-5H2,1-2H3
InChIKey
OWFYESAAHVXGKO-UHFFFAOYSA-N
Compound name
cyclopropyl-(2,4-dimethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 135.0
[M+Na]+ 199.109338 144.2
[M-H]- 175.112844 141.7
[M+NH4]+ 194.153943 150.2
[M+K]+ 215.083278 140.9
[M+H-H2O]+ 159.117380 129.0
[M+HCOO]- 221.118321 157.0
[M+CH3COO]- 235.133971 184.7
[M+Na-2H]- 197.094786 139.5
[M]+ 176.11957142 136.9
[M]- 176.12066858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.