CID 217422

38906-61-5

Structural Information

Molecular Formula
C15H19NO
SMILES
CN1CCC(C1)(CC#C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H19NO/c1-4-8-15(9-10-16(2)12-15)13-6-5-7-14(11-13)17-3/h1,5-7,11H,8-10,12H2,2-3H3
InChIKey
FCBNMMBVJJVEJQ-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-methyl-3-prop-2-ynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 152.8
[M+Na]+ 252.135888 163.0
[M-H]- 228.139394 155.9
[M+NH4]+ 247.180493 171.0
[M+K]+ 268.109828 156.5
[M+H-H2O]+ 212.143930 139.7
[M+HCOO]- 274.144871 168.2
[M+CH3COO]- 288.160521 197.6
[M+Na-2H]- 250.121336 154.8
[M]+ 229.14612142 147.1
[M]- 229.14721858 147.1
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.