CID 14838423

(2-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methanamine

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1(COC2=CC=CC=C2O1)CN
InChI
InChI=1S/C10H13NO2/c1-10(6-11)7-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7,11H2,1H3
InChIKey
WLYCDJUUOAIBNZ-UHFFFAOYSA-N
Compound name
(3-methyl-2H-1,4-benzodioxin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.3
[M+Na]+ 202.08386 150.0
[M+NH4]+ 197.12846 148.0
[M+K]+ 218.05780 142.3
[M-H]- 178.08736 143.3
[M+Na-2H]- 200.06931 144.2
[M]+ 179.09409 141.0
[M]- 179.09519 141.0
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