CID 117602168

4-methoxybicyclo[2.2.1]heptane-1-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
COC12CCC(C1)(CC2)C=O
InChI
InChI=1S/C9H14O2/c1-11-9-4-2-8(6-9,7-10)3-5-9/h7H,2-6H2,1H3
InChIKey
WLGDJQCHBCNHTP-UHFFFAOYSA-N
Compound name
4-methoxybicyclo[2.2.1]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 134.8
[M+Na]+ 177.088598 143.0
[M-H]- 153.092104 137.8
[M+NH4]+ 172.133203 164.6
[M+K]+ 193.062538 141.3
[M+H-H2O]+ 137.096640 131.6
[M+HCOO]- 199.097581 156.6
[M+CH3COO]- 213.113231 174.1
[M+Na-2H]- 175.074046 141.4
[M]+ 154.09883142 135.3
[M]- 154.09992858 135.3
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

patents stripe