CID 44154114

77923-83-2

Structural Information

Molecular Formula
C14H22O
SMILES
CC1CC23CC1C(=O)C2CCCC3(C)C
InChI
InChI=1S/C14H22O/c1-9-7-14-8-10(9)12(15)11(14)5-4-6-13(14,2)3/h9-11H,4-8H2,1-3H3
InChIKey
KECSZPXAXJKCSD-UHFFFAOYSA-N
Compound name
2,2,5-trimethyl-octahydro-1H-2,4a-methanonapthalen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 149.8
[M+Na]+ 229.156288 157.7
[M-H]- 205.159794 154.2
[M+NH4]+ 224.200893 178.9
[M+K]+ 245.130228 153.8
[M+H-H2O]+ 189.164330 146.2
[M+HCOO]- 251.165271 166.9
[M+CH3COO]- 265.180921 188.6
[M+Na-2H]- 227.141736 151.9
[M]+ 206.16652142 147.5
[M]- 206.16761858 147.5
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.