CID 217412

38906-46-6

Structural Information

Molecular Formula
C16H25NO
SMILES
CC(C)CCC1(CCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H25NO/c1-13(2)7-8-16(9-10-17(3)12-16)14-5-4-6-15(18)11-14/h4-6,11,13,18H,7-10,12H2,1-3H3
InChIKey
NBYLDDKRYIOEHF-UHFFFAOYSA-N
Compound name
3-[1-methyl-3-(3-methylbutyl)pyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.9
[M+Na]+ 270.18284 166.7
[M-H]- 246.18634 164.6
[M+NH4]+ 265.22744 180.1
[M+K]+ 286.15678 163.1
[M+H-H2O]+ 230.19088 154.2
[M+HCOO]- 292.19182 179.0
[M+CH3COO]- 306.20747 193.3
[M+Na-2H]- 268.16829 161.5
[M]+ 247.19307 159.2
[M]- 247.19417 159.2
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.