CID 3063930

2-furanethylamine, n-benzyl-n,2-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C15H19NO
SMILES
CC1=CC=C(O1)CCN(C)CC2=CC=CC=C2
InChI
InChI=1S/C15H19NO/c1-13-8-9-15(17-13)10-11-16(2)12-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3
InChIKey
HQVNYRCYHRYKED-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 154.3
[M+Na]+ 252.13589 160.8
[M-H]- 228.13939 162.9
[M+NH4]+ 247.18049 173.2
[M+K]+ 268.10983 159.6
[M+H-H2O]+ 212.14393 147.0
[M+HCOO]- 274.14487 180.0
[M+CH3COO]- 288.16052 196.4
[M+Na-2H]- 250.12134 159.0
[M]+ 229.14612 157.5
[M]- 229.14722 157.5
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.