CID 3018080

71172-46-8

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC1(CC1)C(C)(C2=CC=CC=C2)O

InChI

InChI=1S/C12H16O/c1-11(8-9-11)12(2,13)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3

InChIKey

JKVXNQHAQDPGRQ-UHFFFAOYSA-N

Compound name

1-(1-methylcyclopropyl)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.12012 Da
Monoisotopic Mass: 2.4
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]+	177.12740	137.6
[M+Na]+	199.10934	146.4
[M-H]-	175.11284	144.2
[M+NH4]+	194.15394	154.3
[M+K]+	215.08328	144.3
[M+H-H2O]+	159.11738	132.7
[M+HCOO]-	221.11832	158.7
[M+CH3COO]-	235.13397	181.6
[M+Na-2H]-	197.09479	146.1
[M]+	176.11957	139.3
[M]-	176.12067	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe