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]+ 227.13095 153.7
[M+Na]+ 249.11289 160.7
[M-H]- 225.11639 158.1
[M+NH4]+ 244.15749 173.0
[M+K]+ 265.08683 157.4
[M+H-H2O]+ 209.12093 148.0
[M+HCOO]- 271.12187 173.6
[M+CH3COO]- 285.13752 199.9
[M+Na-2H]- 247.09834 155.7
[M]+ 226.12312 155.6
[M]- 226.12422 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.