CID 217421

38906-60-4

Structural Information

Molecular Formula
C15H21NO
SMILES
CN1CCC(C1)(CC=C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H21NO/c1-4-8-15(9-10-16(2)12-15)13-6-5-7-14(11-13)17-3/h4-7,11H,1,8-10,12H2,2-3H3
InChIKey
JJJFFGHZXTXBBO-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-methyl-3-prop-2-enylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 154.3
[M+Na]+ 254.15153 161.5
[M-H]- 230.15503 159.4
[M+NH4]+ 249.19613 174.8
[M+K]+ 270.12547 158.0
[M+H-H2O]+ 214.15957 147.3
[M+HCOO]- 276.16051 175.5
[M+CH3COO]- 290.17616 191.2
[M+Na-2H]- 252.13698 157.0
[M]+ 231.16176 154.0
[M]- 231.16286 154.0
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.