CID 421238

(1,3-dioxaindan-5-ylmethyl)(methyl)amine

Structural Information

Molecular Formula
C9H11NO2
SMILES
CNCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C9H11NO2/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4,10H,5-6H2,1H3
InChIKey
CEPGPPSMCRKGFJ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

318
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 131.9
[M+Na]+ 188.06820 139.9
[M-H]- 164.07170 137.8
[M+NH4]+ 183.11280 152.6
[M+K]+ 204.04214 140.3
[M+H-H2O]+ 148.07624 126.7
[M+HCOO]- 210.07718 155.3
[M+CH3COO]- 224.09283 179.1
[M+Na-2H]- 186.05365 141.3
[M]+ 165.07843 133.7
[M]- 165.07953 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe