CID 231652

2-(dimethylamino)-2-methylpropanal

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)(C=O)N(C)C
InChI
InChI=1S/C6H13NO/c1-6(2,5-8)7(3)4/h5H,1-4H3
InChIKey
HQVOWZWVYHHPHA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

115.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.4
[M+Na]+ 138.088938 130.8
[M-H]- 114.092444 125.6
[M+NH4]+ 133.133543 146.8
[M+K]+ 154.062878 132.2
[M+H-H2O]+ 98.096980 119.2
[M+HCOO]- 160.097921 147.7
[M+CH3COO]- 174.113571 176.9
[M+Na-2H]- 136.074386 130.8
[M]+ 115.09917142 125.5
[M]- 115.10026858 125.5
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