CID 12315274

Santene hydrate

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC1C2CCC(C2)C1(C)O

InChI

InChI=1S/C9H16O/c1-6-7-3-4-8(5-7)9(6,2)10/h6-8,10H,3-5H2,1-2H3

InChIKey

DXAQHKPBQZSMSM-UHFFFAOYSA-N

Compound name

2,3-dimethylbicyclo[2.2.1]heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 140.12012 Da
Monoisotopic Mass: 1.9
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]+	141.12740	132.3
[M+Na]+	163.10934	140.7
[M-H]-	139.11284	134.3
[M+NH4]+	158.15394	160.9
[M+K]+	179.08328	138.3
[M+H-H2O]+	123.11738	129.6
[M+HCOO]-	185.11832	152.3
[M+CH3COO]-	199.13397	172.8
[M+Na-2H]-	161.09479	136.2
[M]+	140.11957	130.7
[M]-	140.12067	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe