CID 66759

94-92-8

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC=CC=C1NCCNC2=CC=CC=C2C
InChI
InChI=1S/C16H20N2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-10,17-18H,11-12H2,1-2H3
InChIKey
ZQMPWXFHAUDENN-UHFFFAOYSA-N
Compound name
N,N'-bis(2-methylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

5659
Patents

240.16264 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 156.1
[M+Na]+ 263.15186 162.1
[M-H]- 239.15536 162.7
[M+NH4]+ 258.19646 173.2
[M+K]+ 279.12580 157.6
[M+H-H2O]+ 223.15990 148.2
[M+HCOO]- 285.16084 181.9
[M+CH3COO]- 299.17649 200.1
[M+Na-2H]- 261.13731 162.5
[M]+ 240.16209 155.3
[M]- 240.16319 155.3
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