CID 165659557

Rac-(1r,5r)-6-methoxybicyclo[3.2.0]heptane-3-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
COC1C[C@H]2[C@@H]1CC(C2)C=O
InChI
InChI=1S/C9H14O2/c1-11-9-4-7-2-6(5-10)3-8(7)9/h5-9H,2-4H2,1H3/t6?,7-,8-,9?/m0/s1
InChIKey
SKAURTXNNPRADW-QXNPHUFVSA-N
Compound name
(1S,5S)-6-methoxybicyclo[3.2.0]heptane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 127.3
[M+Na]+ 177.088598 133.9
[M-H]- 153.092104 131.8
[M+NH4]+ 172.133203 145.0
[M+K]+ 193.062538 135.6
[M+H-H2O]+ 137.096640 118.5
[M+HCOO]- 199.097581 148.4
[M+CH3COO]- 213.113231 180.8
[M+Na-2H]- 175.074046 131.6
[M]+ 154.09883142 136.5
[M]- 154.09992858 136.5
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.