CID 570934

1-vinyladamantane

Structural Information

Molecular Formula
C12H18
SMILES
C=CC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C12H18/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h2,9-11H,1,3-8H2
InChIKey
HYOHWHHFTYGMJS-UHFFFAOYSA-N
Compound name
1-ethenyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

826
Patents

162.14085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 139.0
[M+Na]+ 185.130068 141.7
[M-H]- 161.133574 134.7
[M+NH4]+ 180.174673 166.5
[M+K]+ 201.104008 137.8
[M+H-H2O]+ 145.138110 133.0
[M+HCOO]- 207.139051 146.7
[M+CH3COO]- 221.154701 148.6
[M+Na-2H]- 183.115516 150.0
[M]+ 162.14030142 137.4
[M]- 162.14139858 137.4
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