CID 11275021

4-(prop-2-en-1-yloxy)butan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
C=CCOCCCCO
InChI
InChI=1S/C7H14O2/c1-2-6-9-7-4-3-5-8/h2,8H,1,3-7H2
InChIKey
CTDRAOLVEHKAAZ-UHFFFAOYSA-N
Compound name
4-prop-2-enoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1275
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 128.6
[M+Na]+ 153.088598 135.2
[M-H]- 129.092104 127.3
[M+NH4]+ 148.133203 150.1
[M+K]+ 169.062538 134.2
[M+H-H2O]+ 113.096640 124.1
[M+HCOO]- 175.097581 151.2
[M+CH3COO]- 189.113231 170.6
[M+Na-2H]- 151.074046 134.7
[M]+ 130.09883142 130.5
[M]- 130.09992858 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