CID 639880

3-(2-methoxyethoxy)prop-1-ene

Structural Information

Molecular Formula
C6H12O2
SMILES
COCCOCC=C
InChI
InChI=1S/C6H12O2/c1-3-4-8-6-5-7-2/h3H,1,4-6H2,2H3
InChIKey
GSOBBSPKPFHUCK-UHFFFAOYSA-N
Compound name
3-(2-methoxyethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

523
Patents

116.08373 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.0
[M+Na]+ 139.07295 130.5
[M-H]- 115.07645 123.3
[M+NH4]+ 134.11755 145.8
[M+K]+ 155.04689 130.8
[M+H-H2O]+ 99.080990 118.6
[M+HCOO]- 161.08193 147.5
[M+CH3COO]- 175.09758 170.3
[M+Na-2H]- 137.05840 130.3
[M]+ 116.08318 126.6
[M]- 116.08428 126.6
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