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 162.1
[M+Na]+ 255.19306 165.3
[M-H]- 231.19656 159.9
[M+NH4]+ 250.23766 179.4
[M+K]+ 271.16700 165.2
[M+H-H2O]+ 215.20110 156.4
[M+HCOO]- 277.20204 179.8
[M+CH3COO]- 291.21769 194.0
[M+Na-2H]- 253.17851 161.1
[M]+ 232.20329 166.5
[M]- 232.20439 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