CID 69474

Tripentyl orthoformate

Structural Information

Molecular Formula
C16H34O3
SMILES
CCCCCOC(OCCCCC)OCCCCC
InChI
InChI=1S/C16H34O3/c1-4-7-10-13-17-16(18-14-11-8-5-2)19-15-12-9-6-3/h16H,4-15H2,1-3H3
InChIKey
NRRGKWUTVHJHCS-UHFFFAOYSA-N
Compound name
1-(dipentoxymethoxy)pentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

137
Patents

274.2508 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.25808 174.4
[M+Na]+ 297.24002 177.2
[M-H]- 273.24352 172.8
[M+NH4]+ 292.28462 190.8
[M+K]+ 313.21396 176.3
[M+H-H2O]+ 257.24806 167.7
[M+HCOO]- 319.24900 194.7
[M+CH3COO]- 333.26465 203.9
[M+Na-2H]- 295.22547 174.9
[M]+ 274.25025 183.3
[M]- 274.25135 183.3
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