CID 253229

473-00-7

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

30
Patents

148.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 143.1
[M+Na]+ 171.114418 150.1
[M-H]- 147.117924 143.2
[M+NH4]+ 166.159023 164.7
[M+K]+ 187.088358 149.9
[M+H-H2O]+ 131.122460 135.4
[M+HCOO]- 193.123401 157.7
[M+CH3COO]- 207.139051 186.6
[M+Na-2H]- 169.099866 152.8
[M]+ 148.12465142 154.7
[M]- 148.12574858 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

literature stripe

Patent stripe

patents stripe