CID 15914

Phenyltrimethylammonium

Structural Information

Molecular Formula
C9H14N
SMILES
C[N+](C)(C)C1=CC=CC=C1
InChI
InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKey
ZNEOHLHCKGUAEB-UHFFFAOYSA-N
Compound name
trimethyl(phenyl)azanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

124
References

22645
Patents

136.11263 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.119906 125.2
[M+Na]+ 159.101848 132.6
[M-H]- 135.105354 130.7
[M+NH4]+ 154.146453 147.6
[M+K]+ 175.075788 126.5
[M+H-H2O]+ 119.109890 122.9
[M+HCOO]- 181.110831 150.3
[M+CH3COO]- 195.126481 172.8
[M+Na-2H]- 157.087296 137.2
[M]+ 136.11208142 124.2
[M]- 136.11317858 124.2
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