CID 32485

2-ethyl-6-methylaniline

Structural Information

Molecular Formula
C9H13N
SMILES
CCC1=CC=CC(=C1N)C
InChI
InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3
InChIKey
JJVKJJNCIILLRP-UHFFFAOYSA-N
Compound name
2-ethyl-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

1809
Patents

135.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 127.7
[M+Na]+ 158.09402 140.9
[M+NH4]+ 153.13862 137.3
[M+K]+ 174.06796 133.8
[M-H]- 134.09752 131.4
[M+Na-2H]- 156.07947 135.4
[M]+ 135.10425 130.6
[M]- 135.10535 130.6
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