CID 12445340

62052-49-7

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC2=C(C=C1N)OCO2
InChI
InChI=1S/C8H9NO2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-3H,4,9H2,1H3
InChIKey
PFLGEPXBHVTBNJ-UHFFFAOYSA-N
Compound name
6-methyl-1,3-benzodioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

151.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.7
[M+Na]+ 174.05254 140.0
[M+NH4]+ 169.09714 137.1
[M+K]+ 190.02648 136.8
[M-H]- 150.05604 133.0
[M+Na-2H]- 172.03799 132.4
[M]+ 151.06277 130.9
[M]- 151.06387 130.9
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