CID 6365435

2-propylidenecyclopentan-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
CC/C=C/1\CCCC1=O
InChI
InChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h4H,2-3,5-6H2,1H3/b7-4+
InChIKey
RBBXMNMQOGQFMV-QPJJXVBHSA-N
Compound name
(2E)-2-propylidenecyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

124.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 126.1
[M+Na]+ 147.07803 133.4
[M-H]- 123.08153 129.4
[M+NH4]+ 142.12263 150.3
[M+K]+ 163.05197 131.8
[M+H-H2O]+ 107.08607 121.5
[M+HCOO]- 169.08701 149.4
[M+CH3COO]- 183.10266 169.9
[M+Na-2H]- 145.06348 129.9
[M]+ 124.08826 123.7
[M]- 124.08936 123.7
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