CID 12423131

67567-36-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])CN

InChI

InChI=1S/C8H10N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,5,9H2,1H3

InChIKey

DZJKVKCPWQBJSU-UHFFFAOYSA-N

Compound name

(5-methoxy-2-nitrophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 182.06914 Da
Monoisotopic Mass: 0.6
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]+	183.07642	135.1
[M+Na]+	205.05836	147.5
[M+NH4]+	200.10296	143.0
[M+K]+	221.03230	144.7
[M-H]-	181.06186	138.6
[M+Na-2H]-	203.04381	141.2
[M]+	182.06859	137.6
[M]-	182.06969	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe