CID 61317392

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

Structural Information

Molecular Formula
C12H13NO
SMILES
CC1=C(C=C(C=C1)C2=CC=C(O2)C)N
InChI
InChI=1S/C12H13NO/c1-8-3-5-10(7-11(8)13)12-6-4-9(2)14-12/h3-7H,13H2,1-2H3
InChIKey
HKJNDMKMESONOK-UHFFFAOYSA-N
Compound name
2-methyl-5-(5-methylfuran-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

187.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 139.8
[M+Na]+ 210.088938 149.4
[M-H]- 186.092444 147.8
[M+NH4]+ 205.133543 160.2
[M+K]+ 226.062878 147.2
[M+H-H2O]+ 170.096980 133.9
[M+HCOO]- 232.097921 165.4
[M+CH3COO]- 246.113571 185.5
[M+Na-2H]- 208.074386 144.6
[M]+ 187.09917142 140.6
[M]- 187.10026858 140.6
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