CID 178200735

2-methyl-2-(oxetan-3-yl)propanal

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)(C=O)C1COC1
InChI
InChI=1S/C7H12O2/c1-7(2,5-8)6-3-9-4-6/h5-6H,3-4H2,1-2H3
InChIKey
NXVHTLDCOUMZHJ-UHFFFAOYSA-N
Compound name
2-methyl-2-(oxetan-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 120.9
[M+Na]+ 151.072938 126.8
[M-H]- 127.076444 125.2
[M+NH4]+ 146.117543 135.4
[M+K]+ 167.046878 131.0
[M+H-H2O]+ 111.080980 111.9
[M+HCOO]- 173.081921 141.1
[M+CH3COO]- 187.097571 175.1
[M+Na-2H]- 149.058386 129.3
[M]+ 128.08317142 130.6
[M]- 128.08426858 130.6
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.