CID 13245705

Tricyclo[2.2.1.0,2,6]heptane-1-carbaldehyde

Structural Information

Molecular Formula
C8H10O
SMILES
C1C2CC3C1C3(C2)C=O
InChI
InChI=1S/C8H10O/c9-4-8-3-5-1-6(8)7(8)2-5/h4-7H,1-3H2
InChIKey
UTTDWKLHKBQGQR-UHFFFAOYSA-N
Compound name
tricyclo[2.2.1.02,6]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 123.5
[M+Na]+ 145.062384 134.4
[M-H]- 121.065890 126.4
[M+NH4]+ 140.106989 151.7
[M+K]+ 161.036324 130.5
[M+H-H2O]+ 105.070426 121.1
[M+HCOO]- 167.071367 142.0
[M+CH3COO]- 181.087017 138.0
[M+Na-2H]- 143.047832 131.4
[M]+ 122.07261742 131.3
[M]- 122.07371458 131.3
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.