CID 23497921

2-hydroxypropyl 2-ethylhexanoate

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCCC(CC)C(=O)OCC(C)O
InChI
InChI=1S/C11H22O3/c1-4-6-7-10(5-2)11(13)14-8-9(3)12/h9-10,12H,4-8H2,1-3H3
InChIKey
RCYYLBZELJCFBT-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

202.15689 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 151.3
[M+Na]+ 225.14611 155.7
[M-H]- 201.14961 149.5
[M+NH4]+ 220.19071 169.8
[M+K]+ 241.12005 155.5
[M+H-H2O]+ 185.15415 146.1
[M+HCOO]- 247.15509 169.9
[M+CH3COO]- 261.17074 186.5
[M+Na-2H]- 223.13156 151.4
[M]+ 202.15634 154.2
[M]- 202.15744 154.2
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