CID 113623

7-oxabicyclo(2.2.1)heptan-2-ol, 1-methyl-4-(1-methylethyl)-

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)C12CCC(O1)(C(C2)O)C
InChI
InChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7-8,11H,4-6H2,1-3H3
InChIKey
IFQZADDJTDGGCP-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

80
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 138.9
[M+Na]+ 193.119898 146.7
[M-H]- 169.123404 141.3
[M+NH4]+ 188.164503 166.6
[M+K]+ 209.093838 145.9
[M+H-H2O]+ 153.127940 136.9
[M+HCOO]- 215.128881 156.8
[M+CH3COO]- 229.144531 177.2
[M+Na-2H]- 191.105346 143.9
[M]+ 170.13013142 139.0
[M]- 170.13122858 139.0
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