CID 21466

5369-38-0

Structural Information

Molecular Formula
C12H22N2
SMILES
C[N+](C)(C)C1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C12H22N2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3/q+2
InChIKey
YSHJWDAUUFQRFJ-UHFFFAOYSA-N
Compound name
trimethyl-[4-(trimethylazaniumyl)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

194.1783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.185576 138.1
[M+Na]+ 217.167518 145.0
[M-H]- 193.171024 145.2
[M+NH4]+ 212.212123 158.6
[M+K]+ 233.141458 133.9
[M+H-H2O]+ 177.175560 138.3
[M+HCOO]- 239.176501 162.4
[M+CH3COO]- 253.192151 185.2
[M+Na-2H]- 215.152966 152.0
[M]+ 194.17775142 137.5
[M]- 194.17884858 137.5
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