CID 4723889

4-[(cyclopropylamino)methyl]-n,n-dimethylaniline

Structural Information

Molecular Formula
C12H18N2
SMILES
CN(C)C1=CC=C(C=C1)CNC2CC2
InChI
InChI=1S/C12H18N2/c1-14(2)12-7-3-10(4-8-12)9-13-11-5-6-11/h3-4,7-8,11,13H,5-6,9H2,1-2H3
InChIKey
KLADCJFMNVMLCQ-UHFFFAOYSA-N
Compound name
4-[(cyclopropylamino)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 139.9
[M+Na]+ 213.13622 147.4
[M-H]- 189.13972 148.7
[M+NH4]+ 208.18082 155.0
[M+K]+ 229.11016 145.0
[M+H-H2O]+ 173.14426 132.6
[M+HCOO]- 235.14520 166.6
[M+CH3COO]- 249.16085 196.0
[M+Na-2H]- 211.12167 146.5
[M]+ 190.14645 142.2
[M]- 190.14755 142.2
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

No patent data available for this compound.