CID 127003072

3-methoxyspiro[3.3]heptane-1-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
COC1CC(C12CCC2)C=O
InChI
InChI=1S/C9H14O2/c1-11-8-5-7(6-10)9(8)3-2-4-9/h6-8H,2-5H2,1H3
InChIKey
GRLGOBMSKSFQIV-UHFFFAOYSA-N
Compound name
3-methoxyspiro[3.3]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 122.2
[M+Na]+ 177.08860 127.3
[M-H]- 153.09210 127.9
[M+NH4]+ 172.13320 132.2
[M+K]+ 193.06254 132.0
[M+H-H2O]+ 137.09664 110.1
[M+HCOO]- 199.09758 141.2
[M+CH3COO]- 213.11323 189.5
[M+Na-2H]- 175.07405 128.5
[M]+ 154.09883 138.7
[M]- 154.09993 138.7
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.