CID 11008912

Cyclopentanone, 2-(1-hydroxyheptyl)-

Structural Information

Molecular Formula
C12H22O2
SMILES
CCCCCCC(C1CCCC1=O)O
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-8-11(13)10-7-6-9-12(10)14/h10-11,13H,2-9H2,1H3
InChIKey
VZAPPURGJHNQTF-UHFFFAOYSA-N
Compound name
2-(1-hydroxyheptyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

198.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 150.2
[M+Na]+ 221.15121 154.6
[M-H]- 197.15471 151.4
[M+NH4]+ 216.19581 170.5
[M+K]+ 237.12515 152.5
[M+H-H2O]+ 181.15925 144.8
[M+HCOO]- 243.16019 169.6
[M+CH3COO]- 257.17584 183.7
[M+Na-2H]- 219.13666 150.1
[M]+ 198.16144 149.0
[M]- 198.16254 149.0
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