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]+ 203.17943 140.2
[M+Na]+ 225.16137 149.6
[M-H]- 201.16487 147.8
[M+NH4]+ 220.20597 159.8
[M+K]+ 241.13531 148.0
[M+H-H2O]+ 185.16941 137.0
[M+HCOO]- 247.17035 158.9
[M+CH3COO]- 261.18600 153.3
[M+Na-2H]- 223.14682 144.2
[M]+ 202.17160 141.0
[M]- 202.17270 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.