CID 8087

1,1'-oxydi-2-propanol

Structural Information

Molecular Formula
C6H14O3
SMILES
CC(COCC(C)O)O
InChI
InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKey
AZUXKVXMJOIAOF-UHFFFAOYSA-N
Compound name
1-(2-hydroxypropoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

19450
Patents

134.0943 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.101576 130.1
[M+Na]+ 157.083518 135.9
[M-H]- 133.087024 127.6
[M+NH4]+ 152.128123 150.6
[M+K]+ 173.057458 136.2
[M+H-H2O]+ 117.091560 125.8
[M+HCOO]- 179.092501 149.6
[M+CH3COO]- 193.108151 169.5
[M+Na-2H]- 155.068966 133.5
[M]+ 134.09375142 130.5
[M]- 134.09484858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe