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 142.6
[M+Na]+ 214.12023 150.4
[M-H]- 190.12373 146.9
[M+NH4]+ 209.16483 164.2
[M+K]+ 230.09417 147.3
[M+H-H2O]+ 174.12827 136.5
[M+HCOO]- 236.12921 163.1
[M+CH3COO]- 250.14486 180.4
[M+Na-2H]- 212.10568 146.5
[M]+ 191.13046 140.1
[M]- 191.13156 140.1
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.