CID 224844

1-ethoxycyclohexene

Structural Information

Molecular Formula
C8H14O
SMILES
CCOC1=CCCCC1
InChI
InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKey
ILZVJFHNPUWKQQ-UHFFFAOYSA-N
Compound name
1-ethoxycyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

448
Patents

126.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 126.2
[M+Na]+ 149.09368 131.9
[M-H]- 125.09718 129.2
[M+NH4]+ 144.13828 148.3
[M+K]+ 165.06762 131.4
[M+H-H2O]+ 109.10172 120.9
[M+HCOO]- 171.10266 148.5
[M+CH3COO]- 185.11831 171.1
[M+Na-2H]- 147.07913 133.0
[M]+ 126.10391 124.3
[M]- 126.10501 124.3
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