CID 69383

2-propanol, 1,3-diisopentyloxy-

Structural Information

Molecular Formula
C13H28O3
SMILES
CC(C)CCOCC(COCCC(C)C)O
InChI
InChI=1S/C13H28O3/c1-11(2)5-7-15-9-13(14)10-16-8-6-12(3)4/h11-14H,5-10H2,1-4H3
InChIKey
ARRCKRNGGJHASO-UHFFFAOYSA-N
Compound name
1,3-bis(3-methylbutoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

232.20384 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.211116 162.1
[M+Na]+ 255.193058 165.3
[M-H]- 231.196564 159.9
[M+NH4]+ 250.237663 179.4
[M+K]+ 271.166998 165.2
[M+H-H2O]+ 215.201100 156.4
[M+HCOO]- 277.202041 179.8
[M+CH3COO]- 291.217691 194.0
[M+Na-2H]- 253.178506 161.1
[M]+ 232.20329142 166.5
[M]- 232.20438858 166.5
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