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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 133.7
[M+Na]+ 185.093678 142.5
[M-H]- 161.097184 140.1
[M+NH4]+ 180.138283 150.8
[M+K]+ 201.067618 140.2
[M+H-H2O]+ 145.101720 128.2
[M+HCOO]- 207.102661 156.7
[M+CH3COO]- 221.118311 178.4
[M+Na-2H]- 183.079126 142.0
[M]+ 162.10391142 135.4
[M]- 162.10500858 135.4
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

patents stripe