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

16
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 152.0
[M+Na]+ 229.156288 161.0
[M-H]- 205.159794 157.5
[M+NH4]+ 224.200893 184.0
[M+K]+ 245.130228 156.8
[M+H-H2O]+ 189.164330 149.3
[M+HCOO]- 251.165271 171.2
[M+CH3COO]- 265.180921 165.5
[M+Na-2H]- 227.141736 153.9
[M]+ 206.16652142 150.1
[M]- 206.16761858 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