CID 66696145

3-cyclopropoxypropan-1-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
C1CC1OCCCO
InChI
InChI=1S/C6H12O2/c7-4-1-5-8-6-2-3-6/h6-7H,1-5H2
InChIKey
UCBICUVEDRHXHY-UHFFFAOYSA-N
Compound name
3-cyclopropyloxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

116.08373 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.4
[M+Na]+ 139.07295 135.1
[M+NH4]+ 134.11755 132.3
[M+K]+ 155.04689 131.2
[M-H]- 115.07645 130.8
[M+Na-2H]- 137.05840 130.9
[M]+ 116.08318 128.1
[M]- 116.08428 128.1
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