CID 85735

Bicyclo[2.2.1]heptane-2,3-diol

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC2CC1C(C2O)O
InChI
InChI=1S/C7H12O2/c8-6-4-1-2-5(3-4)7(6)9/h4-9H,1-3H2
InChIKey
HNMVZUWXQLASRL-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

709
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

literature stripe

Patent stripe

patents stripe