CID 154186

Deterrol

Structural Information

Molecular Formula
C15H16O
SMILES
CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)CO
InChI
InChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-8,16H,1,9H2,2-3H3
InChIKey
UELYVRHCROBZCL-UHFFFAOYSA-N
Compound name
(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

212.12012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.127396 145.2
[M+Na]+ 235.109338 153.1
[M-H]- 211.112844 150.7
[M+NH4]+ 230.153943 165.7
[M+K]+ 251.083278 152.8
[M+H-H2O]+ 195.117380 141.8
[M+HCOO]- 257.118321 167.1
[M+CH3COO]- 271.133971 190.6
[M+Na-2H]- 233.094786 148.2
[M]+ 212.11957142 144.5
[M]- 212.12066858 144.5
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