CID 84921

15451-14-6

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)(CN(C)C)C=O
InChI
InChI=1S/C7H15NO/c1-7(2,6-9)5-8(3)4/h6H,5H2,1-4H3
InChIKey
NYUOVICEZDPRBR-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

341
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.2
[M+Na]+ 152.10459 135.1
[M-H]- 128.10809 130.1
[M+NH4]+ 147.14919 151.0
[M+K]+ 168.07853 136.3
[M+H-H2O]+ 112.11263 123.8
[M+HCOO]- 174.11357 152.1
[M+CH3COO]- 188.12922 179.9
[M+Na-2H]- 150.09004 135.0
[M]+ 129.11482 130.6
[M]- 129.11592 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

literature stripe

Patent stripe

patents stripe