CID 57625593

1022251-72-4

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

16
Patents

184.07672 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 139.4
[M+Na]+ 207.06594 147.9
[M-H]- 183.06944 144.2
[M+NH4]+ 202.11054 160.5
[M+K]+ 223.03988 144.9
[M+H-H2O]+ 167.07398 134.2
[M+HCOO]- 229.07492 161.3
[M+CH3COO]- 243.09057 189.9
[M+Na-2H]- 205.05139 144.3
[M]+ 184.07617 140.8
[M]- 184.07727 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