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

4
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 137.1
[M+Na]+ 202.08386 144.7
[M-H]- 178.08736 142.5
[M+NH4]+ 197.12846 157.1
[M+K]+ 218.05780 145.0
[M+H-H2O]+ 162.09190 131.4
[M+HCOO]- 224.09284 157.3
[M+CH3COO]- 238.10849 181.5
[M+Na-2H]- 200.06931 147.4
[M]+ 179.09409 136.4
[M]- 179.09519 136.4
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