CID 70525

1010-19-1

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3588
Patents

178.15958 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.166856 139.7
[M+Na]+ 201.148798 145.8
[M-H]- 177.152304 144.7
[M+NH4]+ 196.193403 160.4
[M+K]+ 217.122738 138.9
[M+H-H2O]+ 161.156840 136.7
[M+HCOO]- 223.157781 163.9
[M+CH3COO]- 237.173431 182.0
[M+Na-2H]- 199.134246 150.1
[M]+ 178.15903142 139.8
[M]- 178.16012858 139.8
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