CID 68878122

1019776-84-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1(OC2=C(O1)C=C(C=C2)CN)C

InChI

InChI=1S/C10H13NO2/c1-10(2)12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,6,11H2,1-2H3

InChIKey

AZFZYNWXGOTZFG-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-1,3-benzodioxol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 179.09464 Da
Monoisotopic Mass: 1.4
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]+	180.101916	136.4
[M+Na]+	202.083858	145.9
[M-H]-	178.087364	142.4
[M+NH4]+	197.128463	158.7
[M+K]+	218.057798	145.8
[M+H-H2O]+	162.091900	132.0
[M+HCOO]-	224.092841	158.8
[M+CH3COO]-	238.108491	182.2
[M+Na-2H]-	200.069306	144.7
[M]+	179.09409142	138.3
[M]-	179.09518858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe