CID 52026

73664-10-5

Structural Information

Molecular Formula
C12H20N
SMILES
CC[N+](C)(CC)C1=CC=CC(=C1)C
InChI
InChI=1S/C12H20N/c1-5-13(4,6-2)12-9-7-8-11(3)10-12/h7-10H,5-6H2,1-4H3/q+1
InChIKey
FIPBSNCYSKFQBO-UHFFFAOYSA-N
Compound name
diethyl-methyl-(3-methylphenyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

178.15958 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.16686 138.8
[M+Na]+ 201.14880 145.9
[M-H]- 177.15230 144.2
[M+NH4]+ 196.19340 159.9
[M+K]+ 217.12274 139.0
[M+H-H2O]+ 161.15684 136.1
[M+HCOO]- 223.15778 163.0
[M+CH3COO]- 237.17343 183.0
[M+Na-2H]- 199.13425 148.6
[M]+ 178.15903 139.3
[M]- 178.16013 139.3
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