CID 60138535

932019-29-9

Structural Information

Molecular Formula
C12H20O
SMILES
CCOCC1=C(CCC1C(=C)C)C
InChI
InChI=1S/C12H20O/c1-5-13-8-12-10(4)6-7-11(12)9(2)3/h11H,2,5-8H2,1,3-4H3
InChIKey
FGPHMXWANROIMX-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-1-methyl-3-prop-1-en-2-ylcyclopentene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

180.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 143.2
[M+Na]+ 203.14063 150.1
[M-H]- 179.14413 146.6
[M+NH4]+ 198.18523 165.5
[M+K]+ 219.11457 148.3
[M+H-H2O]+ 163.14867 138.1
[M+HCOO]- 225.14961 165.4
[M+CH3COO]- 239.16526 185.2
[M+Na-2H]- 201.12608 144.0
[M]+ 180.15086 144.3
[M]- 180.15196 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe