CID 316780

1-methoxy-3-methylbut-2-ene

Structural Information

Molecular Formula
C6H12O
SMILES
CC(=CCOC)C
InChI
InChI=1S/C6H12O/c1-6(2)4-5-7-3/h4H,5H2,1-3H3
InChIKey
MVQDNWRPFWUJRQ-UHFFFAOYSA-N
Compound name
1-methoxy-3-methylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

100.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.5
[M+Na]+ 123.07803 127.9
[M-H]- 99.081534 121.0
[M+NH4]+ 118.12263 144.0
[M+K]+ 139.05197 128.2
[M+H-H2O]+ 83.086070 116.5
[M+HCOO]- 145.08701 143.8
[M+CH3COO]- 159.10266 168.5
[M+Na-2H]- 121.06348 126.5
[M]+ 100.08826 121.8
[M]- 100.08936 121.8
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