CID 12672860

[1-(hydroxymethyl)-2-phenylcyclopropyl]methanol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1C(C1(CO)CO)C2=CC=CC=C2
InChI
InChI=1S/C11H14O2/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChIKey
VAXCXWNVPTZKLC-UHFFFAOYSA-N
Compound name
[1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 136.0
[M+Na]+ 201.08860 145.4
[M-H]- 177.09210 141.5
[M+NH4]+ 196.13320 152.1
[M+K]+ 217.06254 142.3
[M+H-H2O]+ 161.09664 131.1
[M+HCOO]- 223.09758 157.7
[M+CH3COO]- 237.11323 178.9
[M+Na-2H]- 199.07405 143.4
[M]+ 178.09883 138.0
[M]- 178.09993 138.0
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.