CID 115759

36894-63-0

Structural Information

Molecular Formula
C16H25NO
SMILES
CC(C)(C)CC1(CCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H25NO/c1-15(2,3)11-16(8-9-17(4)12-16)13-6-5-7-14(18)10-13/h5-7,10,18H,8-9,11-12H2,1-4H3
InChIKey
KKDBMZZXJQGCGF-UHFFFAOYSA-N
Compound name
3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.8
[M+Na]+ 270.182838 167.4
[M-H]- 246.186344 164.8
[M+NH4]+ 265.227443 180.3
[M+K]+ 286.156778 163.9
[M+H-H2O]+ 230.190880 154.8
[M+HCOO]- 292.191821 178.4
[M+CH3COO]- 306.207471 192.2
[M+Na-2H]- 268.168286 163.5
[M]+ 247.19307142 159.2
[M]- 247.19416858 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.