CID 3043610

55875-53-1

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CC(CC1=C(C=C(C=C1)N(C)C)Cl)N
InChI
InChI=1S/C11H17ClN2/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12/h4-5,7-8H,6,13H2,1-3H3
InChIKey
PHXIYUHXUSLPNG-UHFFFAOYSA-N
Compound name
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.10803 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.115306 149.0
[M+Na]+ 235.097248 156.4
[M-H]- 211.100754 153.6
[M+NH4]+ 230.141853 168.9
[M+K]+ 251.071188 153.4
[M+H-H2O]+ 195.105290 143.5
[M+HCOO]- 257.106231 169.2
[M+CH3COO]- 271.121881 196.9
[M+Na-2H]- 233.082696 151.5
[M]+ 212.10748142 150.5
[M]- 212.10857858 150.5
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.