CID 115764

Phenol, m-(3-propyl-3-pyrrolidinyl)-

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCC1(CCNC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C13H19NO/c1-2-6-13(7-8-14-10-13)11-4-3-5-12(15)9-11/h3-5,9,14-15H,2,6-8,10H2,1H3
InChIKey
ODZIWWCDWKQCTQ-UHFFFAOYSA-N
Compound name
3-(3-propylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

205.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.5
[M+Na]+ 228.135888 154.5
[M-H]- 204.139394 150.8
[M+NH4]+ 223.180493 168.4
[M+K]+ 244.109828 150.2
[M+H-H2O]+ 188.143930 142.1
[M+HCOO]- 250.144871 167.1
[M+CH3COO]- 264.160521 179.7
[M+Na-2H]- 226.121336 152.0
[M]+ 205.14612142 144.0
[M]- 205.14721858 144.0
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

patents stripe