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

7702
Patents

136.1252 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 125.4
[M+Na]+ 159.114418 136.2
[M-H]- 135.117924 130.4
[M+NH4]+ 154.159023 152.3
[M+K]+ 175.088358 134.6
[M+H-H2O]+ 119.122460 122.2
[M+HCOO]- 181.123401 150.6
[M+CH3COO]- 195.139051 177.6
[M+Na-2H]- 157.099866 130.5
[M]+ 136.12465142 127.9
[M]- 136.12574858 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

literature stripe

Patent stripe

patents stripe