CID 13031

2-propanone, 1-(1-cyclohexen-1-yl)-

Structural Information

Molecular Formula
C9H14O
SMILES
CC(=O)CC1=CCCCC1
InChI
InChI=1S/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3
InChIKey
RDOUKLWMBUMPIX-UHFFFAOYSA-N
Compound name
1-(cyclohexen-1-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

138.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 129.7
[M+Na]+ 161.09368 135.1
[M-H]- 137.09718 132.7
[M+NH4]+ 156.13828 151.2
[M+K]+ 177.06762 134.1
[M+H-H2O]+ 121.10172 124.4
[M+HCOO]- 183.10266 150.9
[M+CH3COO]- 197.11831 174.1
[M+Na-2H]- 159.07913 134.8
[M]+ 138.10391 126.9
[M]- 138.10501 126.9
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