CID 62275792

3-[benzyl(methyl)amino]-2,2-dimethylpropanal

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C)(CN(C)CC1=CC=CC=C1)C=O
InChI
InChI=1S/C13H19NO/c1-13(2,11-15)10-14(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKey
MIXVFNSHXRSKAF-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

205.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.2
[M+Na]+ 228.135888 153.9
[M-H]- 204.139394 152.8
[M+NH4]+ 223.180493 167.6
[M+K]+ 244.109828 152.7
[M+H-H2O]+ 188.143930 141.8
[M+HCOO]- 250.144871 171.8
[M+CH3COO]- 264.160521 193.2
[M+Na-2H]- 226.121336 154.5
[M]+ 205.14612142 150.3
[M]- 205.14721858 150.3
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