CID 107010

1-nonanol, 8-methyl-, dihydrogen phosphate

Structural Information

Molecular Formula
C10H23O4P
SMILES
CC(C)CCCCCCCOP(=O)(O)O
InChI
InChI=1S/C10H23O4P/c1-10(2)8-6-4-3-5-7-9-14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKey
OZFLRNPZLCUVFP-UHFFFAOYSA-N
Compound name
8-methylnonyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2859
Patents

238.13339 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14067 162.1
[M+Na]+ 261.12261 166.7
[M-H]- 237.12611 157.8
[M+NH4]+ 256.16721 179.1
[M+K]+ 277.09655 165.5
[M+H-H2O]+ 221.13065 155.0
[M+HCOO]- 283.13159 185.2
[M+CH3COO]- 297.14724 189.2
[M+Na-2H]- 259.10806 161.9
[M]+ 238.13284 166.7
[M]- 238.13394 166.7
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