CID 7020362

3-(1,3-dioxolan-2-yl)aniline

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1COC(O1)C2=CC(=CC=C2)N
InChI
InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5,10H2
InChIKey
SPLTWZBWXIJQME-UHFFFAOYSA-N
Compound name
3-(1,3-dioxolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

165.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.0
[M+Na]+ 188.06820 139.9
[M-H]- 164.07170 140.5
[M+NH4]+ 183.11280 152.0
[M+K]+ 204.04214 140.1
[M+H-H2O]+ 148.07624 127.1
[M+HCOO]- 210.07718 155.9
[M+CH3COO]- 224.09283 177.0
[M+Na-2H]- 186.05365 139.6
[M]+ 165.07843 131.0
[M]- 165.07953 131.0
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