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]+ 123.08044 123.5
[M+Na]+ 145.06238 134.4
[M-H]- 121.06589 126.4
[M+NH4]+ 140.10699 151.7
[M+K]+ 161.03632 130.5
[M+H-H2O]+ 105.07043 121.1
[M+HCOO]- 167.07137 142.0
[M+CH3COO]- 181.08702 138.0
[M+Na-2H]- 143.04783 131.4
[M]+ 122.07262 131.3
[M]- 122.07371 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.