CID 3041916

Pyrrolidine, 1-(2,3-dihydro-2,2-dimethyl-3-benzofuranyl)-

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1(C(C2=CC=CC=C2O1)N3CCCC3)C
InChI
InChI=1S/C14H19NO/c1-14(2)13(15-9-5-6-10-15)11-7-3-4-8-12(11)16-14/h3-4,7-8,13H,5-6,9-10H2,1-2H3
InChIKey
JTFPHSZHFUGBJW-UHFFFAOYSA-N
Compound name
1-(2,2-dimethyl-3H-1-benzofuran-3-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 149.6
[M+Na]+ 240.135888 157.5
[M-H]- 216.139394 156.5
[M+NH4]+ 235.180493 172.2
[M+K]+ 256.109828 155.3
[M+H-H2O]+ 200.143930 143.6
[M+HCOO]- 262.144871 169.2
[M+CH3COO]- 276.160521 162.8
[M+Na-2H]- 238.121336 152.6
[M]+ 217.14612142 148.4
[M]- 217.14721858 148.4
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.