CID 44150891

Einecs 299-545-7

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1(C2CCC1(C3(C2)CCCC(O3)O)C)C
InChI
InChI=1S/C14H24O2/c1-12(2)10-6-8-13(12,3)14(9-10)7-4-5-11(15)16-14/h10-11,15H,4-9H2,1-3H3
InChIKey
HTDRMLQEGSMZSN-UHFFFAOYSA-N
Compound name
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,6'-oxane]-2'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 153.0
[M+Na]+ 247.166848 160.6
[M-H]- 223.170354 157.2
[M+NH4]+ 242.211453 180.9
[M+K]+ 263.140788 157.8
[M+H-H2O]+ 207.174890 150.1
[M+HCOO]- 269.175831 167.6
[M+CH3COO]- 283.191481 165.3
[M+Na-2H]- 245.152296 157.1
[M]+ 224.17708142 150.1
[M]- 224.17817858 150.1
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

No patent data available for this compound.