CID 561876

(1-benzylcyclopropyl)methanol

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1CC1(CC2=CC=CC=C2)CO

InChI

InChI=1S/C11H14O/c12-9-11(6-7-11)8-10-4-2-1-3-5-10/h1-5,12H,6-9H2

InChIKey

WKXMBZFFPAJMSV-UHFFFAOYSA-N

Compound name

(1-benzylcyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 162.10446 Da
Monoisotopic Mass: 2.1
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]+	163.11174	138.3
[M+Na]+	185.09368	152.7
[M+NH4]+	180.13828	149.7
[M+K]+	201.06762	145.0
[M-H]-	161.09718	149.0
[M+Na-2H]-	183.07913	150.5
[M]+	162.10391	144.8
[M]-	162.10501	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe