CID 113047

63134-14-5

Structural Information

Molecular Formula
C9H14N2
SMILES
CCNC1=C(C=CC(=C1)N)C
InChI
InChI=1S/C9H14N2/c1-3-11-9-6-8(10)5-4-7(9)2/h4-6,11H,3,10H2,1-2H3
InChIKey
MLYFGLAUZWJGCX-UHFFFAOYSA-N
Compound name
3-N-ethyl-4-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

150.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 131.9
[M+Na]+ 173.104908 139.5
[M-H]- 149.108414 135.6
[M+NH4]+ 168.149513 152.9
[M+K]+ 189.078848 137.2
[M+H-H2O]+ 133.112950 126.1
[M+HCOO]- 195.113891 157.9
[M+CH3COO]- 209.129541 182.7
[M+Na-2H]- 171.090356 138.2
[M]+ 150.11514142 130.1
[M]- 150.11623858 130.1
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