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

7
Patents

154.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.8
[M+Na]+ 177.08860 143.0
[M-H]- 153.09210 137.8
[M+NH4]+ 172.13320 164.6
[M+K]+ 193.06254 141.3
[M+H-H2O]+ 137.09664 131.6
[M+HCOO]- 199.09758 156.6
[M+CH3COO]- 213.11323 174.1
[M+Na-2H]- 175.07405 141.4
[M]+ 154.09883 135.3
[M]- 154.09993 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