CID 80653

3-(diethylamino)-2,2-dimethylpropanal

Structural Information

Molecular Formula
C9H19NO
SMILES
CCN(CC)CC(C)(C)C=O
InChI
InChI=1S/C9H19NO/c1-5-10(6-2)7-9(3,4)8-11/h8H,5-7H2,1-4H3
InChIKey
AAHIYAKUVPMLMX-UHFFFAOYSA-N
Compound name
3-(diethylamino)-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.6
[M+Na]+ 180.13589 143.7
[M-H]- 156.13939 139.2
[M+NH4]+ 175.18049 159.3
[M+K]+ 196.10983 144.3
[M+H-H2O]+ 140.14393 132.8
[M+HCOO]- 202.14487 160.9
[M+CH3COO]- 216.16052 186.0
[M+Na-2H]- 178.12134 143.3
[M]+ 157.14612 140.8
[M]- 157.14722 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe