CID 21880650

4-(aminomethyl)-2-chloroaniline

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C1=CC(=C(C=C1CN)Cl)N
InChI
InChI=1S/C7H9ClN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4,9-10H2
InChIKey
UKADWWBTPJFZOM-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

156.04543 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe