CID 20046

72402-00-7

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1C(CCC1(C)O)C(=C)C

InChI

InChI=1S/C10H18O/c1-7(2)9-5-6-10(4,11)8(9)3/h8-9,11H,1,5-6H2,2-4H3

InChIKey

ZRVPDCMGGOSDKG-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 599
Patents: 154.13577 Da
Monoisotopic Mass: 2.6
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	134.9
[M+Na]+	177.12499	142.2
[M-H]-	153.12849	137.3
[M+NH4]+	172.16959	159.5
[M+K]+	193.09893	140.2
[M+H-H2O]+	137.13303	131.6
[M+HCOO]-	199.13397	154.8
[M+CH3COO]-	213.14962	176.4
[M+Na-2H]-	175.11044	136.6
[M]+	154.13522	132.2
[M]-	154.13632	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe