CID 102751

3-(1,3-dimethylpyrrolidin-3-yl)phenol

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(CCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C12H17NO/c1-12(6-7-13(2)9-12)10-4-3-5-11(14)8-10/h3-5,8,14H,6-7,9H2,1-2H3
InChIKey
WNFFIEOSTPUMGJ-UHFFFAOYSA-N
Compound name
3-(1,3-dimethylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.7
[M+Na]+ 214.12023 155.8
[M+NH4]+ 209.16483 154.0
[M+K]+ 230.09417 149.0
[M-H]- 190.12373 146.8
[M+Na-2H]- 212.10568 151.8
[M]+ 191.13046 146.4
[M]- 191.13156 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.