CID 62946364

4-(aminomethyl)-3-chloroaniline

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C1=CC(=C(C=C1N)Cl)CN
InChI
InChI=1S/C7H9ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2
InChIKey
UGSXRYXRWBKDFP-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-3-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

156.04543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 130.5
[M+Na]+ 179.03465 139.7
[M-H]- 155.03815 133.6
[M+NH4]+ 174.07925 151.7
[M+K]+ 195.00859 135.4
[M+H-H2O]+ 139.04269 126.0
[M+HCOO]- 201.04363 151.9
[M+CH3COO]- 215.05928 179.8
[M+Na-2H]- 177.02010 136.2
[M]+ 156.04488 128.9
[M]- 156.04598 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe