CID 39338

Benzyl(furan-2-ylmethyl)amine

Structural Information

Molecular Formula
C12H13NO
SMILES
C1=CC=C(C=C1)CNCC2=CC=CO2
InChI
InChI=1S/C12H13NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKey
WDTGNYDDCJERKR-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

61
Patents

187.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.4
[M+Na]+ 210.08894 146.0
[M-H]- 186.09244 146.6
[M+NH4]+ 205.13354 158.9
[M+K]+ 226.06288 144.2
[M+H-H2O]+ 170.09698 132.6
[M+HCOO]- 232.09792 165.6
[M+CH3COO]- 246.11357 182.8
[M+Na-2H]- 208.07439 147.3
[M]+ 187.09917 139.9
[M]- 187.10027 139.9
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