CID 253229

Nopadiene

Structural Information

Molecular Formula
C11H16
SMILES
CC1(C2CC=C(C1C2)C=C)C
InChI
InChI=1S/C11H16/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4-5,9-10H,1,6-7H2,2-3H3
InChIKey
HSBGCCSTQMHQPR-UHFFFAOYSA-N
Compound name
2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

148.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 143.1
[M+Na]+ 171.11442 150.1
[M-H]- 147.11792 143.2
[M+NH4]+ 166.15902 164.7
[M+K]+ 187.08836 149.9
[M+H-H2O]+ 131.12246 135.4
[M+HCOO]- 193.12340 157.7
[M+CH3COO]- 207.13905 186.6
[M+Na-2H]- 169.09987 152.8
[M]+ 148.12465 154.7
[M]- 148.12575 154.7
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.