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
2
Annotation Hits

0
References

289
Patents

128.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.0
[M+Na]+ 151.072938 134.7
[M-H]- 127.076444 127.5
[M+NH4]+ 146.117543 153.2
[M+K]+ 167.046878 132.6
[M+H-H2O]+ 111.080980 124.0
[M+HCOO]- 173.081921 146.3
[M+CH3COO]- 187.097571 166.7
[M+Na-2H]- 149.058386 130.4
[M]+ 128.08317142 124.0
[M]- 128.08426858 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