CID 20153866

3-ethyl-5-methylaniline

Structural Information

Molecular Formula
C9H13N
SMILES
CCC1=CC(=CC(=C1)C)N
InChI
InChI=1S/C9H13N/c1-3-8-4-7(2)5-9(10)6-8/h4-6H,3,10H2,1-2H3
InChIKey
QKMJJTJWNQXNEH-UHFFFAOYSA-N
Compound name
3-ethyl-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
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

No literature data available for this compound.

Patent stripe

patents stripe