CID 576719

1,7,7-trimethyl-2-vinylbicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C12H18
SMILES
CC1(C2CCC1(C(=C2)C=C)C)C
InChI
InChI=1S/C12H18/c1-5-9-8-10-6-7-12(9,4)11(10,2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKey
DNDLHRMVKMCSOS-UHFFFAOYSA-N
Compound name
2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

162.14085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 137.1
[M+Na]+ 185.130068 147.1
[M-H]- 161.133574 140.8
[M+NH4]+ 180.174673 167.6
[M+K]+ 201.104008 143.5
[M+H-H2O]+ 145.138110 134.4
[M+HCOO]- 207.139051 159.1
[M+CH3COO]- 221.154701 181.0
[M+Na-2H]- 183.115516 142.0
[M]+ 162.14030142 138.0
[M]- 162.14139858 138.0
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