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]+ 155.10666 127.3
[M+Na]+ 177.08860 133.9
[M-H]- 153.09210 131.8
[M+NH4]+ 172.13320 145.0
[M+K]+ 193.06254 135.6
[M+H-H2O]+ 137.09664 118.5
[M+HCOO]- 199.09758 148.4
[M+CH3COO]- 213.11323 180.8
[M+Na-2H]- 175.07405 131.6
[M]+ 154.09883 136.5
[M]- 154.09993 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.