CID 106625

6-methylheptyl dihydrogen phosphate

Structural Information

Molecular Formula
C8H19O4P
SMILES
CC(C)CCCCCOP(=O)(O)O
InChI
InChI=1S/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKey
RQINQJTUMGQYOB-UHFFFAOYSA-N
Compound name
6-methylheptyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1054
Patents

210.1021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10938 148.9
[M+Na]+ 233.09132 155.6
[M+NH4]+ 228.13592 153.7
[M+K]+ 249.06526 152.9
[M-H]- 209.09482 144.7
[M+Na-2H]- 231.07677 148.8
[M]+ 210.10155 148.1
[M]- 210.10265 148.1
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

patents stripe