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

91
Patents

205.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.2
[M+Na]+ 228.13589 153.9
[M-H]- 204.13939 152.8
[M+NH4]+ 223.18049 167.6
[M+K]+ 244.10983 152.7
[M+H-H2O]+ 188.14393 141.8
[M+HCOO]- 250.14487 171.8
[M+CH3COO]- 264.16052 193.2
[M+Na-2H]- 226.12134 154.5
[M]+ 205.14612 150.3
[M]- 205.14722 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