CID 110917

Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol

Structural Information

Molecular Formula
C9H14O2
SMILES
C1C2CC(C1C=C2)(CO)CO
InChI
InChI=1S/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2
InChIKey
DSHXMENPUICESR-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1122
Patents

154.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.7
[M+Na]+ 177.08860 142.7
[M-H]- 153.09210 135.3
[M+NH4]+ 172.13320 161.7
[M+K]+ 193.06254 139.8
[M+H-H2O]+ 137.09664 131.7
[M+HCOO]- 199.09758 154.9
[M+CH3COO]- 213.11323 170.7
[M+Na-2H]- 175.07405 139.8
[M]+ 154.09883 133.8
[M]- 154.09993 133.8
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