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]+ 230.15395 152.8
[M+Na]+ 252.13589 163.0
[M-H]- 228.13939 155.9
[M+NH4]+ 247.18049 171.0
[M+K]+ 268.10983 156.5
[M+H-H2O]+ 212.14393 139.7
[M+HCOO]- 274.14487 168.2
[M+CH3COO]- 288.16052 197.6
[M+Na-2H]- 250.12134 154.8
[M]+ 229.14612 147.1
[M]- 229.14722 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.