CID 70500

1,3,2-dioxaphosphorinane, 2-methoxy-5,5-dimethyl-

Structural Information

Molecular Formula
C6H13O3P
SMILES
CC1(COP(OC1)OC)C
InChI
InChI=1S/C6H13O3P/c1-6(2)4-8-10(7-3)9-5-6/h4-5H2,1-3H3
InChIKey
YXFJCUOSUYSZNS-UHFFFAOYSA-N
Compound name
2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

164.06023 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06751 135.6
[M+Na]+ 187.04945 142.6
[M-H]- 163.05295 139.3
[M+NH4]+ 182.09405 156.3
[M+K]+ 203.02339 145.6
[M+H-H2O]+ 147.05749 128.9
[M+HCOO]- 209.05843 160.7
[M+CH3COO]- 223.07408 177.2
[M+Na-2H]- 185.03490 141.1
[M]+ 164.05968 137.9
[M]- 164.06078 137.9
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