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

2
Patents

187.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 140.3
[M+Na]+ 210.08894 154.1
[M+NH4]+ 205.13354 149.7
[M+K]+ 226.06288 149.2
[M-H]- 186.09244 146.6
[M+Na-2H]- 208.07439 148.3
[M]+ 187.09917 144.1
[M]- 187.10027 144.1
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