CID 424677

Bornite

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC1(C2CCC1(C(C2)CO)C)C

InChI

InChI=1S/C11H20O/c1-10(2)8-4-5-11(10,3)9(6-8)7-12/h8-9,12H,4-7H2,1-3H3

InChIKey

BHBAWDLBEMVNAQ-UHFFFAOYSA-N

Compound name

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 16
Patents: 168.15141 Da
Monoisotopic Mass: 2.9
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]+	169.15869	140.1
[M+Na]+	191.14063	148.7
[M-H]-	167.14413	142.1
[M+NH4]+	186.18523	169.6
[M+K]+	207.11457	145.7
[M+H-H2O]+	151.14867	137.8
[M+HCOO]-	213.14961	159.4
[M+CH3COO]-	227.16526	178.6
[M+Na-2H]-	189.12608	144.2
[M]+	168.15086	139.5
[M]-	168.15196	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe