CID 3043630

55875-64-4

Structural Information

Molecular Formula
C12H19ClN2
SMILES
CCC(CC1=C(C=C(C=C1)N(C)C)Cl)N
InChI
InChI=1S/C12H19ClN2/c1-4-10(14)7-9-5-6-11(15(2)3)8-12(9)13/h5-6,8,10H,4,7,14H2,1-3H3
InChIKey
DHXJVCGVQPGCKQ-UHFFFAOYSA-N
Compound name
4-(2-aminobutyl)-3-chloro-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.130946 153.7
[M+Na]+ 249.112888 160.7
[M-H]- 225.116394 158.1
[M+NH4]+ 244.157493 173.0
[M+K]+ 265.086828 157.4
[M+H-H2O]+ 209.120930 148.0
[M+HCOO]- 271.121871 173.6
[M+CH3COO]- 285.137521 199.9
[M+Na-2H]- 247.098336 155.7
[M]+ 226.12312142 155.6
[M]- 226.12421858 155.6
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.