CID 121680830

1870453-93-2

Structural Information

Molecular Formula
C12H19ClN2
SMILES
CC(C1=CC(=CC=C1)Cl)NCC(C)(C)N
InChI
InChI=1S/C12H19ClN2/c1-9(15-8-12(2,3)14)10-5-4-6-11(13)7-10/h4-7,9,15H,8,14H2,1-3H3
InChIKey
NOCLHPFMNIXMGJ-UHFFFAOYSA-N
Compound name
1-N-[1-(3-chlorophenyl)ethyl]-2-methylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12367 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.130946 153.7
[M+Na]+ 249.112888 160.0
[M-H]- 225.116394 156.6
[M+NH4]+ 244.157493 172.1
[M+K]+ 265.086828 155.7
[M+H-H2O]+ 209.120930 148.5
[M+HCOO]- 271.121871 171.5
[M+CH3COO]- 285.137521 195.6
[M+Na-2H]- 247.098336 157.8
[M]+ 226.12312142 153.4
[M]- 226.12421858 153.4
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.