CID 73013419

854650-11-6

Structural Information

Molecular Formula
C12H20N2
SMILES
CC(C1=CC=CC=C1)NCC(C)(C)N
InChI
InChI=1S/C12H20N2/c1-10(14-9-12(2,3)13)11-7-5-4-6-8-11/h4-8,10,14H,9,13H2,1-3H3
InChIKey
IYMMHZQNNLOTMO-UHFFFAOYSA-N
Compound name
2-methyl-1-N-(1-phenylethyl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.8
[M+Na]+ 215.15186 156.7
[M+NH4]+ 210.19646 155.0
[M+K]+ 231.12580 150.9
[M-H]- 191.15536 149.6
[M+Na-2H]- 213.13731 153.2
[M]+ 192.16209 148.9
[M]- 192.16319 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe