CID 110725

Bicyclo[2.2.1]heptane-2,7-diol

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC2C(CC1C2O)O
InChI
InChI=1S/C7H12O2/c8-6-3-4-1-2-5(6)7(4)9/h4-9H,1-3H2
InChIKey
PRUUDNOIZWXFSZ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

482
Patents

128.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.0
[M+Na]+ 151.07294 134.7
[M-H]- 127.07644 127.5
[M+NH4]+ 146.11754 153.2
[M+K]+ 167.04688 132.6
[M+H-H2O]+ 111.08098 124.0
[M+HCOO]- 173.08192 146.3
[M+CH3COO]- 187.09757 166.7
[M+Na-2H]- 149.05839 130.4
[M]+ 128.08317 124.0
[M]- 128.08427 124.0
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

patents stripe