CID 13413648

N-ethyl-3,5-dimethylaniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

149.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 131.5
[M+Na]+ 172.10967 139.6
[M-H]- 148.11317 135.7
[M+NH4]+ 167.15427 153.3
[M+K]+ 188.08361 137.5
[M+H-H2O]+ 132.11771 126.1
[M+HCOO]- 194.11865 156.9
[M+CH3COO]- 208.13430 181.5
[M+Na-2H]- 170.09512 138.2
[M]+ 149.11990 131.9
[M]- 149.12100 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

literature stripe

Patent stripe

patents stripe