CID 31352

Dipentaerythritol

Structural Information

Molecular Formula
C10H22O7
SMILES
C(C(CO)(CO)COCC(CO)(CO)CO)O
InChI
InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2
InChIKey
TXBCBTDQIULDIA-UHFFFAOYSA-N
Compound name
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

40417
Patents

254.13655 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14383 158.5
[M+Na]+ 277.12577 161.5
[M-H]- 253.12927 149.6
[M+NH4]+ 272.17037 171.0
[M+K]+ 293.09971 159.5
[M+H-H2O]+ 237.13381 154.1
[M+HCOO]- 299.13475 170.1
[M+CH3COO]- 313.15040 179.9
[M+Na-2H]- 275.11122 162.6
[M]+ 254.13600 158.9
[M]- 254.13710 158.9
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