CID 13892028

1(5),3-aromadendradiene

Structural Information

Molecular Formula
C15H22
SMILES
CC1CCC2C(C2(C)C)C3=C1CC=C3C
InChI
InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,9,12,14H,6-8H2,1-4H3
InChIKey
YBLUUFTVJWBMRJ-UHFFFAOYSA-N
Compound name
1,1,4,7-tetramethyl-1a,2,3,4,5,7b-hexahydrocyclopropa[e]azulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.17215 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 140.2
[M+Na]+ 225.161368 149.6
[M-H]- 201.164874 147.8
[M+NH4]+ 220.205973 159.8
[M+K]+ 241.135308 148.0
[M+H-H2O]+ 185.169410 137.0
[M+HCOO]- 247.170351 158.9
[M+CH3COO]- 261.186001 153.3
[M+Na-2H]- 223.146816 144.2
[M]+ 202.17160142 141.0
[M]- 202.17269858 141.0
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.