CID 90989

23844-98-6

Structural Information

Molecular Formula
C15H22O
SMILES
CC1CC(=O)C=C2C1(CC3C(C2)C3(C)C)C
InChI
InChI=1S/C15H22O/c1-9-5-11(16)6-10-7-12-13(14(12,2)3)8-15(9,10)4/h6,9,12-13H,5,7-8H2,1-4H3
InChIKey
LVQVBJGXSHXFKV-UHFFFAOYSA-N
Compound name
1,1,6,6a-tetramethyl-1a,2,5,6,7,7a-hexahydrocyclopropa[b]naphthalen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 152.7
[M+Na]+ 241.156288 163.2
[M-H]- 217.159794 159.0
[M+NH4]+ 236.200893 172.9
[M+K]+ 257.130228 160.3
[M+H-H2O]+ 201.164330 148.1
[M+HCOO]- 263.165271 168.5
[M+CH3COO]- 277.180921 196.2
[M+Na-2H]- 239.141736 157.9
[M]+ 218.16652142 154.6
[M]- 218.16761858 154.6
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.