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

literature stripe

Patent stripe

patents stripe