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]+ 188.10700 139.8
[M+Na]+ 210.08894 149.4
[M-H]- 186.09244 147.8
[M+NH4]+ 205.13354 160.2
[M+K]+ 226.06288 147.2
[M+H-H2O]+ 170.09698 133.9
[M+HCOO]- 232.09792 165.4
[M+CH3COO]- 246.11357 185.5
[M+Na-2H]- 208.07439 144.6
[M]+ 187.09917 140.6
[M]- 187.10027 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