CID 39540

3-methyl-4-methylenebicyclo(3.2.1)oct-2-ene

Structural Information

Molecular Formula
C10H14
SMILES
CC1=CC2CCC(C2)C1=C
InChI
InChI=1S/C10H14/c1-7-5-9-3-4-10(6-9)8(7)2/h5,9-10H,2-4,6H2,1H3
InChIKey
AUDQUDMLUZNYFA-UHFFFAOYSA-N
Compound name
3-methyl-4-methylidenebicyclo[3.2.1]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.10954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 128.3
[M+Na]+ 157.098758 136.2
[M-H]- 133.102264 131.3
[M+NH4]+ 152.143363 154.1
[M+K]+ 173.072698 133.4
[M+H-H2O]+ 117.106800 124.2
[M+HCOO]- 179.107741 148.9
[M+CH3COO]- 193.123391 175.5
[M+Na-2H]- 155.084206 133.4
[M]+ 134.10899142 125.8
[M]- 134.11008858 125.8
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

No patent data available for this compound.