CID 521314

Myrtanol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(C2CCC(C1C2)CO)C

InChI

InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3

InChIKey

LDWAIHWGMRVEFR-UHFFFAOYSA-N

Compound name

(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 552
Patents: 154.13577 Da
Monoisotopic Mass: 2.5
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]+	155.14305	145.4
[M+Na]+	177.12499	150.9
[M-H]-	153.12849	143.7
[M+NH4]+	172.16959	165.9
[M+K]+	193.09893	151.4
[M+H-H2O]+	137.13303	137.9
[M+HCOO]-	199.13397	157.3
[M+CH3COO]-	213.14962	184.3
[M+Na-2H]-	175.11044	154.2
[M]+	154.13522	155.5
[M]-	154.13632	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe