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]+ 129.09100 120.9
[M+Na]+ 151.07294 126.8
[M-H]- 127.07644 125.2
[M+NH4]+ 146.11754 135.4
[M+K]+ 167.04688 131.0
[M+H-H2O]+ 111.08098 111.9
[M+HCOO]- 173.08192 141.1
[M+CH3COO]- 187.09757 175.1
[M+Na-2H]- 149.05839 129.3
[M]+ 128.08317 130.6
[M]- 128.08427 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.