CID 23454

3-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-2,2-dimethylbutane

Structural Information

Molecular Formula
C13H29O3P
SMILES
CC(C(C)(C)C)OP(=O)(C)OC(C)C(C)(C)C
InChI
InChI=1S/C13H29O3P/c1-10(12(3,4)5)15-17(9,14)16-11(2)13(6,7)8/h10-11H,1-9H3
InChIKey
XSQAITMTGIQAHD-UHFFFAOYSA-N
Compound name
3-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxy-2,2-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

264.18542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19270 168.2
[M+Na]+ 287.17464 173.5
[M-H]- 263.17814 167.4
[M+NH4]+ 282.21924 186.2
[M+K]+ 303.14858 174.5
[M+H-H2O]+ 247.18268 162.3
[M+HCOO]- 309.18362 189.3
[M+CH3COO]- 323.19927 201.9
[M+Na-2H]- 285.16009 169.2
[M]+ 264.18487 174.7
[M]- 264.18597 174.7
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