CID 105427373

2-cyclopropyl-2-methoxypropanal

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C=O)(C1CC1)OC
InChI
InChI=1S/C7H12O2/c1-7(5-8,9-2)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKey
HLXRSKNQTXZRHF-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methoxypropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.4
[M+Na]+ 151.072938 136.9
[M-H]- 127.076444 132.3
[M+NH4]+ 146.117543 144.9
[M+K]+ 167.046878 135.8
[M+H-H2O]+ 111.080980 122.3
[M+HCOO]- 173.081921 150.3
[M+CH3COO]- 187.097571 175.7
[M+Na-2H]- 149.058386 135.1
[M]+ 128.08317142 131.9
[M]- 128.08426858 131.9
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.