CID 406966

(4-nitrobenzyl)trimethylammonium chloride

Structural Information

Molecular Formula
C10H15N2O2
SMILES
C[N+](C)(C)CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H15N2O2/c1-12(2,3)8-9-4-6-10(7-5-9)11(13)14/h4-7H,8H2,1-3H3/q+1
InChIKey
JSDLOLMVNKROEB-UHFFFAOYSA-N
Compound name
trimethyl-[(4-nitrophenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

195.11336 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.12064 140.4
[M+Na]+ 218.10258 147.0
[M-H]- 194.10608 145.8
[M+NH4]+ 213.14718 159.3
[M+K]+ 234.07652 136.7
[M+H-H2O]+ 178.11062 142.0
[M+HCOO]- 240.11156 165.9
[M+CH3COO]- 254.12721 178.7
[M+Na-2H]- 216.08803 152.1
[M]+ 195.11281 138.8
[M]- 195.11391 138.8
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