CID 105740

67828-56-2

Structural Information

Molecular Formula

C₁₁H₁₄N₃O

SMILES

COC1=C(C=CC(=C1)[N+]#N)N2CCCC2

InChI

InChI=1S/C11H14N3O/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3/q+1

InChIKey

RSLBWQMPUBDKQZ-UHFFFAOYSA-N

Compound name

3-methoxy-4-pyrrolidin-1-ylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 204.1137 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.12098	145.9
[M+Na]+	227.10292	155.0
[M-H]-	203.10642	151.3
[M+NH4]+	222.14752	163.2
[M+K]+	243.07686	146.8
[M+H-H2O]+	187.11096	133.8
[M+HCOO]-	249.11190	166.3
[M+CH3COO]-	263.12755	194.7
[M+Na-2H]-	225.08837	152.1
[M]+	204.11315	139.2
[M]-	204.11425	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe