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]+ 197.07277 136.9
[M+Na]+ 219.05471 147.1
[M-H]- 195.05821 143.3
[M+NH4]+ 214.09931 153.7
[M+K]+ 235.02865 142.9
[M+H-H2O]+ 179.06275 132.3
[M+HCOO]- 241.06369 155.4
[M+CH3COO]- 255.07934 183.1
[M+Na-2H]- 217.04016 144.2
[M]+ 196.06494 140.8
[M]- 196.06604 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.