CID 19869829

68966-84-7

Structural Information

Molecular Formula
C9H14N2
SMILES
CCC1=C(C(=C(C=C1)N)C)N
InChI
InChI=1S/C9H14N2/c1-3-7-4-5-8(10)6(2)9(7)11/h4-5H,3,10-11H2,1-2H3
InChIKey
YBDWNQKQXGUAOR-UHFFFAOYSA-N
Compound name
4-ethyl-2-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

16
Patents

150.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 132.4
[M+Na]+ 173.104908 141.0
[M-H]- 149.108414 136.0
[M+NH4]+ 168.149513 153.4
[M+K]+ 189.078848 138.3
[M+H-H2O]+ 133.112950 126.9
[M+HCOO]- 195.113891 157.7
[M+CH3COO]- 209.129541 183.2
[M+Na-2H]- 171.090356 136.9
[M]+ 150.11514142 129.9
[M]- 150.11623858 129.9
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

patents stripe