CID 165362672

Xxonjrzyfpndgd-prmslibysa-n

Structural Information

Molecular Formula
C16H30O3
SMILES
CC(COC(C)CO[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C)O
InChI
InChI=1S/C16H30O3/c1-11(17)9-18-12(2)10-19-14-8-13-6-7-16(14,5)15(13,3)4/h11-14,17H,6-10H2,1-5H3/t11?,12?,13-,14-,16+/m0/s1
InChIKey
XXONJRZYFPNDGD-PRMSLIBYSA-N
Compound name
1-[1-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.21948 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.22676 169.9
[M+Na]+ 293.20870 175.5
[M-H]- 269.21220 170.9
[M+NH4]+ 288.25330 195.0
[M+K]+ 309.18264 173.5
[M+H-H2O]+ 253.21674 167.3
[M+HCOO]- 315.21768 185.7
[M+CH3COO]- 329.23333 199.1
[M+Na-2H]- 291.19415 169.4
[M]+ 270.21893 172.8
[M]- 270.22003 172.8
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.