CID 73874

1484-85-1

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1OC2=C(O1)C=C(C=C2)CCN
InChI
InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2
InChIKey
RRIRDPSOCUCGBV-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

1421
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.4
[M+Na]+ 188.06820 140.4
[M-H]- 164.07170 137.8
[M+NH4]+ 183.11280 152.9
[M+K]+ 204.04214 140.4
[M+H-H2O]+ 148.07624 127.2
[M+HCOO]- 210.07718 155.2
[M+CH3COO]- 224.09283 178.5
[M+Na-2H]- 186.05365 140.7
[M]+ 165.07843 133.2
[M]- 165.07953 133.2
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