CID 57541

N-[(furan-2-yl)methyl]aniline

Structural Information

Molecular Formula
C11H11NO
SMILES
C1=CC=C(C=C1)NCC2=CC=CO2
InChI
InChI=1S/C11H11NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-8,12H,9H2
InChIKey
HCYZEVXWZFESIN-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

190
Patents

173.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.7
[M+Na]+ 196.073278 141.8
[M-H]- 172.076784 142.1
[M+NH4]+ 191.117883 154.8
[M+K]+ 212.047218 140.2
[M+H-H2O]+ 156.081320 128.1
[M+HCOO]- 218.082261 161.2
[M+CH3COO]- 232.097911 179.7
[M+Na-2H]- 194.058726 143.2
[M]+ 173.08351142 134.8
[M]- 173.08460858 134.8
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