CID 10581

1,3-cyclohexadiene, 1,5,5,6-tetramethyl-

Structural Information

Molecular Formula
C10H16
SMILES
CC1C(=CC=CC1(C)C)C
InChI
InChI=1S/C10H16/c1-8-6-5-7-10(3,4)9(8)2/h5-7,9H,1-4H3
InChIKey
LKNRSUKTEIJIAS-UHFFFAOYSA-N
Compound name
1,5,5,6-tetramethylcyclohexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

136.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 126.8
[M+Na]+ 159.11442 135.7
[M-H]- 135.11792 131.2
[M+NH4]+ 154.15902 151.5
[M+K]+ 175.08836 134.3
[M+H-H2O]+ 119.12246 122.8
[M+HCOO]- 181.12340 149.8
[M+CH3COO]- 195.13905 176.7
[M+Na-2H]- 157.09987 133.6
[M]+ 136.12465 126.8
[M]- 136.12575 126.8
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