CID 85861298

2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carboxaldehyde

Structural Information

Molecular Formula
C10H14O
SMILES
CC1(C2CC3C1(C3C2)C)C=O
InChI
InChI=1S/C10H14O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h5-8H,3-4H2,1-2H3
InChIKey
LALMNAMACHKPDG-UHFFFAOYSA-N
Compound name
2,3-dimethyltricyclo[2.2.1.02,6]heptane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

150.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 132.3
[M+Na]+ 173.093678 143.9
[M-H]- 149.097184 135.4
[M+NH4]+ 168.138283 161.5
[M+K]+ 189.067618 139.6
[M+H-H2O]+ 133.101720 130.6
[M+HCOO]- 195.102661 149.5
[M+CH3COO]- 209.118311 146.6
[M+Na-2H]- 171.079126 139.6
[M]+ 150.10391142 141.4
[M]- 150.10500858 141.4
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