CID 608753

Refchem:1092962

Structural Information

Molecular Formula
C15H22
SMILES
CC1CC=CC2=CCC(=C(C)C)CC12C
InChI
InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3
InChIKey
QSUQBXKPPUWLTH-UHFFFAOYSA-N
Compound name
1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

202.17215 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 147.9
[M+Na]+ 225.161368 154.1
[M-H]- 201.164874 151.9
[M+NH4]+ 220.205973 170.5
[M+K]+ 241.135308 150.7
[M+H-H2O]+ 185.169410 142.6
[M+HCOO]- 247.170351 165.2
[M+CH3COO]- 261.186001 189.1
[M+Na-2H]- 223.146816 151.6
[M]+ 202.17160142 143.9
[M]- 202.17269858 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe