CID 66024775

{1-[(4-chlorophenyl)methyl]cyclopropyl}methanol

Structural Information

Molecular Formula
C11H13ClO
SMILES
C1CC1(CC2=CC=C(C=C2)Cl)CO
InChI
InChI=1S/C11H13ClO/c12-10-3-1-9(2-4-10)7-11(8-13)5-6-11/h1-4,13H,5-8H2
InChIKey
UUIIQBKUMVZFAZ-UHFFFAOYSA-N
Compound name
[1-[(4-chlorophenyl)methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06549 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.072766 136.9
[M+Na]+ 219.054708 147.1
[M-H]- 195.058214 143.3
[M+NH4]+ 214.099313 153.7
[M+K]+ 235.028648 142.9
[M+H-H2O]+ 179.062750 132.3
[M+HCOO]- 241.063691 155.4
[M+CH3COO]- 255.079341 183.1
[M+Na-2H]- 217.040156 144.2
[M]+ 196.06494142 140.8
[M]- 196.06603858 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.