CID 57625593

4-chloro-2-[(dimethylamino)methyl]aniline

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CN(C)CC1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C9H13ClN2/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6,11H2,1-2H3
InChIKey
JIWHLTJWESKDBN-UHFFFAOYSA-N
Compound name
4-chloro-2-[(dimethylamino)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

184.07672 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083996 139.4
[M+Na]+ 207.065938 147.9
[M-H]- 183.069444 144.2
[M+NH4]+ 202.110543 160.5
[M+K]+ 223.039878 144.9
[M+H-H2O]+ 167.073980 134.2
[M+HCOO]- 229.074921 161.3
[M+CH3COO]- 243.090571 189.9
[M+Na-2H]- 205.051386 144.3
[M]+ 184.07617142 140.8
[M]- 184.07726858 140.8
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

patents stripe