CID 3060564

78218-73-2

Structural Information

Molecular Formula
C11H18NO4P
SMILES
CC(C)OP(=O)(OC1=CN=CC=C1)OC(C)C
InChI
InChI=1S/C11H18NO4P/c1-9(2)14-17(13,15-10(3)4)16-11-6-5-7-12-8-11/h5-10H,1-4H3
InChIKey
ACKRFIVKCUEHFW-UHFFFAOYSA-N
Compound name
dipropan-2-yl pyridin-3-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.09735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10463 159.8
[M+Na]+ 282.08657 165.5
[M-H]- 258.09007 160.6
[M+NH4]+ 277.13117 175.5
[M+K]+ 298.06051 166.0
[M+H-H2O]+ 242.09461 150.4
[M+HCOO]- 304.09555 184.9
[M+CH3COO]- 318.11120 196.2
[M+Na-2H]- 280.07202 161.6
[M]+ 259.09680 165.5
[M]- 259.09790 165.5
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.