CID 276345

Cuban-1-ylmethanol

Structural Information

Molecular Formula
C9H10O
SMILES
C(C12C3C4C1C5C4C3C25)O
InChI
InChI=1S/C9H10O/c10-1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8,10H,1H2
InChIKey
SHBYTOJQOCOSPG-UHFFFAOYSA-N
Compound name
cuban-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

134.07317 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 204.1
[M+Na]+ 157.06239 199.4
[M+NH4]+ 152.10699 200.5
[M+K]+ 173.03633 198.0
[M-H]- 133.06589 199.8
[M+Na-2H]- 155.04784 196.7
[M]+ 134.07262 200.4
[M]- 134.07372 200.4
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