CID 44154050

94231-46-6

Structural Information

Molecular Formula
C15H26O2
SMILES
COCCCCC1(CC2C3CCC(C3)C2C1)O
InChI
InChI=1S/C15H26O2/c1-17-7-3-2-6-15(16)9-13-11-4-5-12(8-11)14(13)10-15/h11-14,16H,2-10H2,1H3
InChIKey
PBMHFJBOPZVADA-UHFFFAOYSA-N
Compound name
4-(4-methoxybutyl)tricyclo[5.2.1.02,6]decan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 163.4
[M+Na]+ 261.182498 169.2
[M-H]- 237.186004 165.2
[M+NH4]+ 256.227103 190.2
[M+K]+ 277.156438 165.3
[M+H-H2O]+ 221.190540 160.0
[M+HCOO]- 283.191481 180.5
[M+CH3COO]- 297.207131 191.4
[M+Na-2H]- 259.167946 163.1
[M]+ 238.19273142 163.3
[M]- 238.19382858 163.3
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

No patent data available for this compound.