CID 200288

Phenol, m-(1,4-dimethyl-3-propyl-3-pyrrolidinyl)-

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCC1(CN(CC1C)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-4-8-15(11-16(3)10-12(15)2)13-6-5-7-14(17)9-13/h5-7,9,12,17H,4,8,10-11H2,1-3H3
InChIKey
ACUBRXUPWOKDKV-UHFFFAOYSA-N
Compound name
3-(1,4-dimethyl-3-propylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 155.4
[M+Na]+ 256.16718 162.8
[M-H]- 232.17068 159.5
[M+NH4]+ 251.21178 175.6
[M+K]+ 272.14112 159.0
[M+H-H2O]+ 216.17522 149.0
[M+HCOO]- 278.17616 174.9
[M+CH3COO]- 292.19181 190.6
[M+Na-2H]- 254.15263 157.1
[M]+ 233.17741 154.3
[M]- 233.17851 154.3
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.