CID 12814415

N-ethyl-2,4-dimethylaniline hydrochloride

Structural Information

Molecular Formula
C10H15N
SMILES
CCNC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C10H15N/c1-4-11-10-6-5-8(2)7-9(10)3/h5-7,11H,4H2,1-3H3
InChIKey
VGFWTVZRANPVQZ-UHFFFAOYSA-N
Compound name
N-ethyl-2,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

149.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 131.5
[M+Na]+ 172.109668 139.6
[M-H]- 148.113174 135.7
[M+NH4]+ 167.154273 153.3
[M+K]+ 188.083608 137.5
[M+H-H2O]+ 132.117710 126.1
[M+HCOO]- 194.118651 156.9
[M+CH3COO]- 208.134301 181.5
[M+Na-2H]- 170.095116 138.2
[M]+ 149.11990142 131.9
[M]- 149.12099858 131.9
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