CID 201370

(+)-n-(alpha-methylphenethyl)tetrahydrofurfurylamine hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(CC1=CC=CC=C1)NCC2CCCO2
InChI
InChI=1S/C14H21NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKey
CQDTWANCCKRJEC-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.0
[M+Na]+ 242.15153 156.3
[M-H]- 218.15503 159.1
[M+NH4]+ 237.19613 170.9
[M+K]+ 258.12547 154.8
[M+H-H2O]+ 202.15957 145.8
[M+HCOO]- 264.16051 174.5
[M+CH3COO]- 278.17616 190.3
[M+Na-2H]- 240.13698 156.4
[M]+ 219.16176 150.6
[M]- 219.16286 150.6
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.