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

14
Patents

162.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 133.7
[M+Na]+ 185.09368 142.5
[M-H]- 161.09718 140.1
[M+NH4]+ 180.13828 150.8
[M+K]+ 201.06762 140.2
[M+H-H2O]+ 145.10172 128.2
[M+HCOO]- 207.10266 156.7
[M+CH3COO]- 221.11831 178.4
[M+Na-2H]- 183.07913 142.0
[M]+ 162.10391 135.4
[M]- 162.10501 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