CID 1085209

2174002-64-1

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=CC=C(O1)CNCC2=CC=CC=N2
InChI
InChI=1S/C12H14N2O/c1-10-5-6-12(15-10)9-13-8-11-4-2-3-7-14-11/h2-7,13H,8-9H2,1H3
InChIKey
QJURXNFXHPGCFF-UHFFFAOYSA-N
Compound name
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.7
[M+Na]+ 225.09983 151.3
[M-H]- 201.10333 149.8
[M+NH4]+ 220.14443 161.6
[M+K]+ 241.07377 149.3
[M+H-H2O]+ 185.10787 136.0
[M+HCOO]- 247.10881 168.6
[M+CH3COO]- 261.12446 186.5
[M+Na-2H]- 223.08528 150.8
[M]+ 202.11006 145.1
[M]- 202.11116 145.1
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

No patent data available for this compound.