CID 7603

N-ethyl-m-toluidine

Structural Information

Molecular Formula
C9H13N
SMILES
CCNC1=CC=CC(=C1)C
InChI
InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
InChIKey
GUYMMHOQXYZMJQ-UHFFFAOYSA-N
Compound name
N-ethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1763
Patents

135.1048 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 127.3
[M+Na]+ 158.094018 134.9
[M-H]- 134.097524 131.2
[M+NH4]+ 153.138623 149.3
[M+K]+ 174.067958 133.0
[M+H-H2O]+ 118.102060 121.8
[M+HCOO]- 180.103001 153.0
[M+CH3COO]- 194.118651 177.3
[M+Na-2H]- 156.079466 135.3
[M]+ 135.10425142 126.9
[M]- 135.10534858 126.9
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