CID 3048069

Usaf la-20

Structural Information

Molecular Formula
C10H16ClN3
SMILES
CNCCN(CC1=CC(=CC=C1)Cl)N
InChI
InChI=1S/C10H16ClN3/c1-13-5-6-14(12)8-9-3-2-4-10(11)7-9/h2-4,7,13H,5-6,8,12H2,1H3
InChIKey
UJQPJRVURHBHFT-UHFFFAOYSA-N
Compound name
2-[amino-[(3-chlorophenyl)methyl]amino]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10327 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.110546 148.3
[M+Na]+ 236.092488 154.6
[M-H]- 212.095994 152.5
[M+NH4]+ 231.137093 167.4
[M+K]+ 252.066428 151.3
[M+H-H2O]+ 196.100530 142.1
[M+HCOO]- 258.101471 170.9
[M+CH3COO]- 272.117121 196.8
[M+Na-2H]- 234.077936 153.6
[M]+ 213.10272142 149.0
[M]- 213.10381858 149.0
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

No patent data available for this compound.