CID 578221

Teresantalol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2CC3C1(C3C2)C)CO

InChI

InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3

InChIKey

ZWUWJJHLJNLVDD-UHFFFAOYSA-N

Compound name

(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 152.12012 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.12740	132.4
[M+Na]+	175.10934	143.5
[M-H]-	151.11284	134.2
[M+NH4]+	170.15394	160.9
[M+K]+	191.08328	138.8
[M+H-H2O]+	135.11738	131.0
[M+HCOO]-	197.11832	148.1
[M+CH3COO]-	211.13397	146.1
[M+Na-2H]-	173.09479	139.5
[M]+	152.11957	140.6
[M]-	152.12067	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe