CID 75573

Isopentyl dihydrogen phosphate

Structural Information

Molecular Formula
C5H13O4P
SMILES
CC(C)CCOP(=O)(O)O
InChI
InChI=1S/C5H13O4P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKey
WCWLEIAMBPYRFJ-UHFFFAOYSA-N
Compound name
3-methylbutyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

341
Patents

168.05515 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06243 138.3
[M+Na]+ 191.04437 145.0
[M-H]- 167.04787 134.9
[M+NH4]+ 186.08897 158.1
[M+K]+ 207.01831 145.1
[M+H-H2O]+ 151.05241 132.2
[M+HCOO]- 213.05335 163.1
[M+CH3COO]- 227.06900 174.1
[M+Na-2H]- 189.02982 140.8
[M]+ 168.05460 141.0
[M]- 168.05570 141.0
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.