CID 369183

60462-27-3

Structural Information

Molecular Formula
C10H12O2
SMILES
C(C12C3C4C1C5C2C3C45CO)O
InChI
InChI=1S/C10H12O2/c11-1-9-3-6-4(9)8-5(9)7(3)10(6,8)2-12/h3-8,11-12H,1-2H2
InChIKey
AWRJQAGOUMAUGW-UHFFFAOYSA-N
Compound name
[4-(hydroxymethyl)cuban-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

164.08372 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 206.0
[M+Na]+ 187.07294 206.7
[M-H]- 163.07644 209.5
[M+NH4]+ 182.11754 202.3
[M+K]+ 203.04688 210.4
[M+H-H2O]+ 147.08098 195.0
[M+HCOO]- 209.08192 207.4
[M+CH3COO]- 223.09757 258.3
[M+Na-2H]- 185.05839 201.1
[M]+ 164.08317 225.6
[M]- 164.08427 225.6
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.