CID 118274599

2-methyl-2-(propan-2-yloxy)propanal

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(C)OC(C)(C)C=O
InChI
InChI=1S/C7H14O2/c1-6(2)9-7(3,4)5-8/h5-6H,1-4H3
InChIKey
HEVUBFGBYDPOPG-UHFFFAOYSA-N
Compound name
2-methyl-2-propan-2-yloxypropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

130.09938 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.3
[M+Na]+ 153.08860 134.7
[M-H]- 129.09210 127.9
[M+NH4]+ 148.13320 149.7
[M+K]+ 169.06254 135.5
[M+H-H2O]+ 113.09664 123.5
[M+HCOO]- 175.09758 149.0
[M+CH3COO]- 189.11323 174.4
[M+Na-2H]- 151.07405 133.5
[M]+ 130.09883 130.1
[M]- 130.09993 130.1
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

patents stripe