CID 446980

(1r)-menthyl hexyl phosphonate group

Structural Information

Molecular Formula
C16H33O3P
SMILES
CCCCCCP(=O)(O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI
InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1
InChIKey
WAVIZOVSJOXCKT-OWCLPIDISA-N
Compound name
hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.21674 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22402 180.4
[M+Na]+ 327.20596 183.0
[M-H]- 303.20946 179.9
[M+NH4]+ 322.25056 195.6
[M+K]+ 343.17990 181.0
[M+H-H2O]+ 287.21400 172.3
[M+HCOO]- 349.21494 200.1
[M+CH3COO]- 363.23059 206.8
[M+Na-2H]- 325.19141 176.1
[M]+ 304.21619 181.6
[M]- 304.21729 181.6
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.