CID 142539

41539-64-4

Structural Information

Molecular Formula
C10H16
SMILES
CC1=CC(C(=C1C)C)(C)C
InChI
InChI=1S/C10H16/c1-7-6-10(4,5)9(3)8(7)2/h6H,1-5H3
InChIKey
ICWJGNMBERNILD-UHFFFAOYSA-N
Compound name
1,2,3,5,5-pentamethylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

74
References

7676
Patents

136.1252 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 125.4
[M+Na]+ 159.11442 136.2
[M-H]- 135.11792 130.4
[M+NH4]+ 154.15902 152.3
[M+K]+ 175.08836 134.6
[M+H-H2O]+ 119.12246 122.2
[M+HCOO]- 181.12340 150.6
[M+CH3COO]- 195.13905 177.6
[M+Na-2H]- 157.09987 130.5
[M]+ 136.12465 127.9
[M]- 136.12575 127.9
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.