CID 564541

Bicyclo[3.1.1]heptane, 6,6-dimethyl-3-methylene-

Structural Information

Molecular Formula
C10H16
SMILES
CC1(C2CC1CC(=C)C2)C
InChI
InChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey
AKTVSHXUPUGPRY-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

136.1252 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 139.4
[M+Na]+ 159.114418 145.8
[M-H]- 135.117924 139.3
[M+NH4]+ 154.159023 161.4
[M+K]+ 175.088358 146.0
[M+H-H2O]+ 119.122460 131.9
[M+HCOO]- 181.123401 153.0
[M+CH3COO]- 195.139051 184.1
[M+Na-2H]- 157.099866 148.7
[M]+ 136.12465142 149.2
[M]- 136.12574858 149.2
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