CID 12359835

2-methyloxane-4-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1CC(CCO1)C=O
InChI
InChI=1S/C7H12O2/c1-6-4-7(5-8)2-3-9-6/h5-7H,2-4H2,1H3
InChIKey
NPRLTZBYFRFJBB-UHFFFAOYSA-N
Compound name
2-methyloxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 124.5
[M+Na]+ 151.07294 130.9
[M-H]- 127.07644 128.5
[M+NH4]+ 146.11754 145.4
[M+K]+ 167.04688 131.7
[M+H-H2O]+ 111.08098 119.5
[M+HCOO]- 173.08192 145.2
[M+CH3COO]- 187.09757 170.6
[M+Na-2H]- 149.05839 131.3
[M]+ 128.08317 122.6
[M]- 128.08427 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe