CID 570483

3a,6-methano-3ah-indene, 2,3,4,5,6,7-hexahydro-

Structural Information

Molecular Formula
C10H14
SMILES
C1CC23CCC(C2)CC3=C1
InChI
InChI=1S/C10H14/c1-2-9-6-8-3-5-10(9,4-1)7-8/h2,8H,1,3-7H2
InChIKey
AFEYPUTUUQHPJT-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.01,5]dec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.10954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 133.0
[M+Na]+ 157.098758 140.5
[M-H]- 133.102264 137.6
[M+NH4]+ 152.143363 163.9
[M+K]+ 173.072698 138.0
[M+H-H2O]+ 117.106800 129.0
[M+HCOO]- 179.107741 154.9
[M+CH3COO]- 193.123391 147.3
[M+Na-2H]- 155.084206 137.0
[M]+ 134.10899142 130.9
[M]- 134.11008858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.