CID 14833138

4-ethyl-3-methylaniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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 127.5
[M+Na]+ 158.09402 136.1
[M-H]- 134.09752 131.3
[M+NH4]+ 153.13862 149.6
[M+K]+ 174.06796 133.9
[M+H-H2O]+ 118.10206 122.3
[M+HCOO]- 180.10300 152.6
[M+CH3COO]- 194.11865 177.7
[M+Na-2H]- 156.07947 133.7
[M]+ 135.10425 126.5
[M]- 135.10535 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