CID 12827211

Heptapropylene glycol

Structural Information

Molecular Formula
C21H44O8
SMILES
CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3
InChIKey
OWRNLGZKEZSHGO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

601
Patents

424.30362 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.31090 214.5
[M+Na]+ 447.29284 219.6
[M-H]- 423.29634 211.7
[M+NH4]+ 442.33744 222.3
[M+K]+ 463.26678 218.0
[M+H-H2O]+ 407.30088 217.7
[M+HCOO]- 469.30182 209.4
[M+CH3COO]- 483.31747 228.3
[M+Na-2H]- 445.27829 204.1
[M]+ 424.30307 214.7
[M]- 424.30417 214.7
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

patents stripe