CID 6537503

1-(1-hydroxypropoxy)propan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3261
Patents

134.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.10158 130.1
[M+Na]+ 157.08352 135.9
[M-H]- 133.08702 127.6
[M+NH4]+ 152.12812 150.6
[M+K]+ 173.05746 136.2
[M+H-H2O]+ 117.09156 125.8
[M+HCOO]- 179.09250 149.6
[M+CH3COO]- 193.10815 169.5
[M+Na-2H]- 155.06897 133.5
[M]+ 134.09375 130.5
[M]- 134.09485 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