CID 7992

Isobutyl vinyl ether

Structural Information

Molecular Formula
C6H12O
SMILES
CC(C)COC=C
InChI
InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey
OZCMOJQQLBXBKI-UHFFFAOYSA-N
Compound name
1-ethenoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

52275
Patents

100.08881 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.6
[M+Na]+ 123.07803 131.5
[M+NH4]+ 118.12263 129.1
[M+K]+ 139.05197 125.8
[M-H]- 99.081534 120.4
[M+Na-2H]- 121.06348 124.9
[M]+ 100.08826 121.9
[M]- 100.08936 121.9
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