CID 123425

1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C11H18
SMILES
CC1(C2CCC1(C(=C)C2)C)C
InChI
InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3
InChIKey
ZASFWGOMAIPHLN-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

150.14085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.14813 134.6
[M+Na]+ 173.13007 143.9
[M-H]- 149.13357 138.0
[M+NH4]+ 168.17467 165.4
[M+K]+ 189.10401 140.8
[M+H-H2O]+ 133.13811 132.0
[M+HCOO]- 195.13905 155.4
[M+CH3COO]- 209.15470 178.4
[M+Na-2H]- 171.11552 138.9
[M]+ 150.14030 133.6
[M]- 150.14140 133.6
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