CID 49777595

2-isopropyl-5-methyl-4-pyrrolidin-1-yl-phenol

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1=CC(=C(C=C1N2CCCC2)C(C)C)O
InChI
InChI=1S/C14H21NO/c1-10(2)12-9-13(11(3)8-14(12)16)15-6-4-5-7-15/h8-10,16H,4-7H2,1-3H3
InChIKey
VWGCQSQJDNRTNB-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-yl-4-pyrrolidin-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.16231 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 152.3
[M+Na]+ 242.151528 158.9
[M-H]- 218.155034 156.4
[M+NH4]+ 237.196133 171.0
[M+K]+ 258.125468 155.7
[M+H-H2O]+ 202.159570 145.6
[M+HCOO]- 264.160511 171.1
[M+CH3COO]- 278.176161 188.9
[M+Na-2H]- 240.136976 152.1
[M]+ 219.16176142 150.0
[M]- 219.16285858 150.0
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.