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

120
Patents

151.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 127.9
[M+Na]+ 174.052538 137.3
[M-H]- 150.056044 133.9
[M+NH4]+ 169.097143 149.2
[M+K]+ 190.026478 137.5
[M+H-H2O]+ 134.060580 123.2
[M+HCOO]- 196.061521 151.0
[M+CH3COO]- 210.077171 176.6
[M+Na-2H]- 172.037986 136.1
[M]+ 151.06277142 128.8
[M]- 151.06386858 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