CID 217414

38906-48-8

Structural Information

Molecular Formula
C14H19NO
SMILES
CN1CCC(C1)(CC=C)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H19NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h3-6,10,16H,1,7-9,11H2,2H3
InChIKey
QJBSWGUVFSZSSA-UHFFFAOYSA-N
Compound name
3-(1-methyl-3-prop-2-enylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 150.6
[M+Na]+ 240.135888 157.8
[M-H]- 216.139394 154.5
[M+NH4]+ 235.180493 171.0
[M+K]+ 256.109828 153.6
[M+H-H2O]+ 200.143930 144.1
[M+HCOO]- 262.144871 170.6
[M+CH3COO]- 276.160521 185.6
[M+Na-2H]- 238.121336 153.4
[M]+ 217.14612142 148.0
[M]- 217.14721858 148.0
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.