CID 3020669

Tetrahydro-2,5-dipropyl-2h-pyran-2-methanol

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCC1CCC(OC1)(CCC)CO
InChI
InChI=1S/C12H24O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h11,13H,3-10H2,1-2H3
InChIKey
MQXJAGMQBSLYGZ-UHFFFAOYSA-N
Compound name
(2,5-dipropyloxan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.17763 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 149.0
[M+Na]+ 223.166848 153.4
[M-H]- 199.170354 150.9
[M+NH4]+ 218.211453 168.3
[M+K]+ 239.140788 152.8
[M+H-H2O]+ 183.174890 144.0
[M+HCOO]- 245.175831 166.2
[M+CH3COO]- 259.191481 183.5
[M+Na-2H]- 221.152296 153.6
[M]+ 200.17708142 148.0
[M]- 200.17817858 148.0
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.