CID 13642774

Diethyl propan-2-yl phosphate

Structural Information

Molecular Formula
C7H17O4P
SMILES
CCOP(=O)(OCC)OC(C)C
InChI
InChI=1S/C7H17O4P/c1-5-9-12(8,10-6-2)11-7(3)4/h7H,5-6H2,1-4H3
InChIKey
DOLOQFUIBXRBTH-UHFFFAOYSA-N
Compound name
diethyl propan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

196.08644 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09372 145.3
[M+Na]+ 219.07566 152.2
[M-H]- 195.07916 144.5
[M+NH4]+ 214.12026 165.6
[M+K]+ 235.04960 153.6
[M+H-H2O]+ 179.08370 138.5
[M+HCOO]- 241.08464 172.6
[M+CH3COO]- 255.10029 185.4
[M+Na-2H]- 217.06111 148.0
[M]+ 196.08589 152.8
[M]- 196.08699 152.8
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