CID 138163

1,2,3,4-tetramethylcyclopenta-1,3-diene

Structural Information

Molecular Formula
C9H14
SMILES
CC1=C(C(=C(C1)C)C)C
InChI
InChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3
InChIKey
VNPQQEYMXYCAEZ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetramethylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2697
Patents

122.10955 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.11683 124.9
[M+Na]+ 145.09877 138.1
[M+NH4]+ 140.14337 134.9
[M+K]+ 161.07271 132.9
[M-H]- 121.10227 127.7
[M+Na-2H]- 143.08422 131.3
[M]+ 122.10900 127.7
[M]- 122.11010 127.7
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