CID 4223769

1-chloro-3-(4-ethyl-1-isobutyloctyloxy)-2-propanol

Structural Information

Molecular Formula
C17H35ClO2
SMILES
CCCCC(CC)CCC(CC(C)C)OCC(CCl)O
InChI
InChI=1S/C17H35ClO2/c1-5-7-8-15(6-2)9-10-17(11-14(3)4)20-13-16(19)12-18/h14-17,19H,5-13H2,1-4H3
InChIKey
ZPYFPFXQTKLETQ-UHFFFAOYSA-N
Compound name
1-chloro-3-(7-ethyl-2-methylundecan-4-yl)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23254 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.23982 181.9
[M+Na]+ 329.22176 184.2
[M-H]- 305.22526 179.1
[M+NH4]+ 324.26636 197.1
[M+K]+ 345.19570 180.7
[M+H-H2O]+ 289.22980 176.9
[M+HCOO]- 351.23074 192.8
[M+CH3COO]- 365.24639 208.5
[M+Na-2H]- 327.20721 177.2
[M]+ 306.23199 187.7
[M]- 306.23309 187.7
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