CID 137467

6,6-dimethylfulvene

Structural Information

Molecular Formula
C8H10
SMILES
CC(=C1C=CC=C1)C
InChI
InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3
InChIKey
WXACXMWYHXOSIX-UHFFFAOYSA-N
Compound name
5-propan-2-ylidenecyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2785
Patents

106.07825 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.08553 121.1
[M+Na]+ 129.06747 129.1
[M-H]- 105.07097 125.0
[M+NH4]+ 124.11207 146.0
[M+K]+ 145.04141 127.7
[M+H-H2O]+ 89.075510 116.4
[M+HCOO]- 151.07645 146.0
[M+CH3COO]- 165.09210 167.9
[M+Na-2H]- 127.05292 126.5
[M]+ 106.07770 120.0
[M]- 106.07880 120.0
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