CID 12445340

6-methyl-1,3-dioxaindan-5-amine

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

113
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 127.9
[M+Na]+ 174.05254 137.3
[M-H]- 150.05604 133.9
[M+NH4]+ 169.09714 149.2
[M+K]+ 190.02648 137.5
[M+H-H2O]+ 134.06058 123.2
[M+HCOO]- 196.06152 151.0
[M+CH3COO]- 210.07717 176.6
[M+Na-2H]- 172.03799 136.1
[M]+ 151.06277 128.8
[M]- 151.06387 128.8
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