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
4
Annotation Hits

13
References

2354
Patents

135.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 127.5
[M+Na]+ 158.094018 136.1
[M-H]- 134.097524 131.3
[M+NH4]+ 153.138623 149.6
[M+K]+ 174.067958 133.9
[M+H-H2O]+ 118.102060 122.3
[M+HCOO]- 180.103001 152.6
[M+CH3COO]- 194.118651 177.7
[M+Na-2H]- 156.079466 133.7
[M]+ 135.10425142 126.5
[M]- 135.10534858 126.5
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