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

61
Patents

195.11336 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.120636 140.4
[M+Na]+ 218.102578 147.0
[M-H]- 194.106084 145.8
[M+NH4]+ 213.147183 159.3
[M+K]+ 234.076518 136.7
[M+H-H2O]+ 178.110620 142.0
[M+HCOO]- 240.111561 165.9
[M+CH3COO]- 254.127211 178.7
[M+Na-2H]- 216.088026 152.1
[M]+ 195.11281142 138.8
[M]- 195.11390858 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