CID 4279464

4-({[(furan-2-yl)methyl]amino}methyl)phenol

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1=COC(=C1)CNCC2=CC=C(C=C2)O
InChI
InChI=1S/C12H13NO2/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
InChIKey
JBPCVNXGKWPNRG-UHFFFAOYSA-N
Compound name
4-[(furan-2-ylmethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

203.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.8
[M+Na]+ 226.08386 149.9
[M-H]- 202.08736 149.1
[M+NH4]+ 221.12846 161.3
[M+K]+ 242.05780 147.6
[M+H-H2O]+ 186.09190 136.3
[M+HCOO]- 248.09284 167.7
[M+CH3COO]- 262.10849 183.4
[M+Na-2H]- 224.06931 149.6
[M]+ 203.09409 143.3
[M]- 203.09519 143.3
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