CID 29723

(4-nitrosophenyl)trimethylammonium iodide

Structural Information

Molecular Formula
C9H13N2O
SMILES
C[N+](C)(C)C1=CC=C(C=C1)N=O
InChI
InChI=1S/C9H13N2O/c1-11(2,3)9-6-4-8(10-12)5-7-9/h4-7H,1-3H3/q+1
InChIKey
LEMSAUUFUUGXMZ-UHFFFAOYSA-N
Compound name
trimethyl-(4-nitrosophenyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.10278 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.11006 130.2
[M+Na]+ 188.09200 138.3
[M-H]- 164.09550 137.4
[M+NH4]+ 183.13660 151.9
[M+K]+ 204.06594 132.8
[M+H-H2O]+ 148.10004 127.1
[M+HCOO]- 210.10098 158.3
[M+CH3COO]- 224.11663 182.1
[M+Na-2H]- 186.07745 142.5
[M]+ 165.10223 131.3
[M]- 165.10333 131.3
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

No patent data available for this compound.