CID 1515278

2-(aminomethyl)-4-chloroaniline

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C1=CC(=C(C=C1Cl)CN)N
InChI
InChI=1S/C7H9ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4,9-10H2
InChIKey
DUDVJYRAOLMJLK-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

156.04543 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 130.5
[M+Na]+ 179.034648 139.7
[M-H]- 155.038154 133.6
[M+NH4]+ 174.079253 151.7
[M+K]+ 195.008588 135.4
[M+H-H2O]+ 139.042690 126.0
[M+HCOO]- 201.043631 151.9
[M+CH3COO]- 215.059281 179.8
[M+Na-2H]- 177.020096 136.2
[M]+ 156.04488142 128.9
[M]- 156.04597858 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