CID 3057211

73986-58-0

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCC(C1CCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-3-5-15(13-8-9-16(2)11-13)12-6-4-7-14(17)10-12/h4,6-7,10,13,15,17H,3,5,8-9,11H2,1-2H3
InChIKey
BIOSACPTBMYVEM-UHFFFAOYSA-N
Compound name
3-[1-(1-methylpyrrolidin-3-yl)butyl]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 157.5
[M+Na]+ 256.16718 162.6
[M-H]- 232.17068 160.9
[M+NH4]+ 251.21178 175.1
[M+K]+ 272.14112 159.1
[M+H-H2O]+ 216.17522 150.2
[M+HCOO]- 278.17616 175.8
[M+CH3COO]- 292.19181 190.8
[M+Na-2H]- 254.15263 157.3
[M]+ 233.17741 155.0
[M]- 233.17851 155.0
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.