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]+ 214.11055 148.3
[M+Na]+ 236.09249 154.6
[M-H]- 212.09599 152.5
[M+NH4]+ 231.13709 167.4
[M+K]+ 252.06643 151.3
[M+H-H2O]+ 196.10053 142.1
[M+HCOO]- 258.10147 170.9
[M+CH3COO]- 272.11712 196.8
[M+Na-2H]- 234.07794 153.6
[M]+ 213.10272 149.0
[M]- 213.10382 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.