CID 793234

3-(5-methylfuran-2-yl)aniline

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=CC=C(O1)C2=CC(=CC=C2)N
InChI
InChI=1S/C11H11NO/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2-7H,12H2,1H3
InChIKey
AYFFRNXUEKOLES-UHFFFAOYSA-N
Compound name
3-(5-methylfuran-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

83
Patents

173.08406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 135.2
[M+Na]+ 196.073278 144.2
[M-H]- 172.076784 142.9
[M+NH4]+ 191.117883 155.8
[M+K]+ 212.047218 142.3
[M+H-H2O]+ 156.081320 129.2
[M+HCOO]- 218.082261 161.2
[M+CH3COO]- 232.097911 181.3
[M+Na-2H]- 194.058726 141.3
[M]+ 173.08351142 135.2
[M]- 173.08460858 135.2
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