CID 14818318

107715-18-4

Structural Information

Molecular Formula
C14H22O
SMILES
CC1(C2CCC1(C(=O)C23CCCC3)C)C
InChI
InChI=1S/C14H22O/c1-12(2)10-6-9-13(12,3)11(15)14(10)7-4-5-8-14/h10H,4-9H2,1-3H3
InChIKey
ZURABCSOVBIFTR-UHFFFAOYSA-N
Compound name
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 152.0
[M+Na]+ 229.15629 161.0
[M-H]- 205.15979 157.5
[M+NH4]+ 224.20089 184.0
[M+K]+ 245.13023 156.8
[M+H-H2O]+ 189.16433 149.3
[M+HCOO]- 251.16527 171.2
[M+CH3COO]- 265.18092 165.5
[M+Na-2H]- 227.14174 153.9
[M]+ 206.16652 150.1
[M]- 206.16762 150.1
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

patents stripe