CID 138375

1-ethoxybut-1-ene

Structural Information

Molecular Formula
C6H12O
SMILES
CCC=COCC
InChI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3
InChIKey
AQTYNINXYJFSHD-UHFFFAOYSA-N
Compound name
1-ethoxybut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

623
Patents

100.08881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.1
[M+Na]+ 123.07803 127.7
[M-H]- 99.081534 120.5
[M+NH4]+ 118.12263 143.7
[M+K]+ 139.05197 127.6
[M+H-H2O]+ 83.086070 116.0
[M+HCOO]- 145.08701 144.4
[M+CH3COO]- 159.10266 167.7
[M+Na-2H]- 121.06348 127.4
[M]+ 100.08826 122.1
[M]- 100.08936 122.1
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