CID 317028

3859-35-6

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C=CC1(CCCC1)O

InChI

InChI=1S/C7H12O/c1-2-7(8)5-3-4-6-7/h2,8H,1,3-6H2

InChIKey

JSQRFMSSEXQLTC-UHFFFAOYSA-N

Compound name

1-ethenylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 112.08881 Da
Monoisotopic Mass: 1.2
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]+	113.096086	123.7
[M+Na]+	135.078028	130.5
[M-H]-	111.081534	125.7
[M+NH4]+	130.122633	149.3
[M+K]+	151.051968	128.9
[M+H-H2O]+	95.086070	119.9
[M+HCOO]-	157.087011	145.6
[M+CH3COO]-	171.102661	164.2
[M+Na-2H]-	133.063476	129.3
[M]+	112.08826142	119.7
[M]-	112.08935858	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe