CID 44146976

2-(2-pinen-10-yl)cyclopentanone

Structural Information

Molecular Formula
C15H22O
SMILES
CC1(C2CC=C(C1C2)CC3CCCC3=O)C
InChI
InChI=1S/C15H22O/c1-15(2)12-7-6-10(13(15)9-12)8-11-4-3-5-14(11)16/h6,11-13H,3-5,7-9H2,1-2H3
InChIKey
YMEBHFZQLASTNM-UHFFFAOYSA-N
Compound name
2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 158.0
[M+Na]+ 241.156288 163.1
[M-H]- 217.159794 160.2
[M+NH4]+ 236.200893 178.2
[M+K]+ 257.130228 161.9
[M+H-H2O]+ 201.164330 149.6
[M+HCOO]- 263.165271 170.8
[M+CH3COO]- 277.180921 168.7
[M+Na-2H]- 239.141736 162.9
[M]+ 218.16652142 168.1
[M]- 218.16761858 168.1
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

No patent data available for this compound.