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]+ 218.15395 149.6
[M+Na]+ 240.13589 157.5
[M-H]- 216.13939 156.5
[M+NH4]+ 235.18049 172.2
[M+K]+ 256.10983 155.3
[M+H-H2O]+ 200.14393 143.6
[M+HCOO]- 262.14487 169.2
[M+CH3COO]- 276.16052 162.8
[M+Na-2H]- 238.12134 152.6
[M]+ 217.14612 148.4
[M]- 217.14722 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.