CID 86868

2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene

Structural Information

Molecular Formula
C10H14
SMILES
C1CC2C(C1)C3CC2C=C3
InChI
InChI=1S/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h4-5,7-10H,1-3,6H2
InChIKey
WHNYVDJJCTVMGO-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1951
Patents

134.10954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 132.5
[M+Na]+ 157.09876 140.2
[M-H]- 133.10226 136.5
[M+NH4]+ 152.14336 162.1
[M+K]+ 173.07270 137.8
[M+H-H2O]+ 117.10680 128.9
[M+HCOO]- 179.10774 154.1
[M+CH3COO]- 193.12339 146.7
[M+Na-2H]- 155.08421 135.4
[M]+ 134.10899 130.6
[M]- 134.11009 130.6
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