CID 69383

1,3-diisoamyloxy-2-propanol

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

11
Patents

232.20384 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.21112 159.0
[M+Na]+ 255.19306 166.1
[M+NH4]+ 250.23766 164.7
[M+K]+ 271.16700 161.9
[M-H]- 231.19656 156.6
[M+Na-2H]- 253.17851 159.2
[M]+ 232.20329 158.9
[M]- 232.20439 158.9
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