CID 12421792

2551117-16-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

156.04543 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe