CID 24755572

5-(1-hydroxypropan-2-yl)isolongifolane

Structural Information

Molecular Formula
C18H32O
SMILES
CC(CO)C1CCC([C@]23C1C([C@H](C2)CC3)(C)C)(C)C
InChI
InChI=1S/C18H32O/c1-12(11-19)14-7-8-16(2,3)18-9-6-13(10-18)17(4,5)15(14)18/h12-15,19H,6-11H2,1-5H3/t12?,13-,14?,15?,18-/m0/s1
InChIKey
NEAZCCULCHXYSI-MWTYEHBWSA-N
Compound name
2-[(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.24533 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 168.5
[M+Na]+ 287.23455 174.8
[M-H]- 263.23805 171.0
[M+NH4]+ 282.27915 196.5
[M+K]+ 303.20849 170.1
[M+H-H2O]+ 247.24259 165.3
[M+HCOO]- 309.24353 181.4
[M+CH3COO]- 323.25918 199.4
[M+Na-2H]- 285.22000 168.1
[M]+ 264.24478 166.2
[M]- 264.24588 166.2
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

patents stripe