CID 3051574

67466-54-0

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC1=CC=C(C=C1)C2(CCNC2)O
InChI
InChI=1S/C12H17NO2/c1-2-15-11-5-3-10(4-6-11)12(14)7-8-13-9-12/h3-6,13-14H,2,7-9H2,1H3
InChIKey
JLUDEVDPRVGZFJ-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.1
[M+Na]+ 230.11515 153.4
[M-H]- 206.11865 149.5
[M+NH4]+ 225.15975 166.8
[M+K]+ 246.08909 149.9
[M+H-H2O]+ 190.12319 140.7
[M+HCOO]- 252.12413 166.2
[M+CH3COO]- 266.13978 178.8
[M+Na-2H]- 228.10060 151.2
[M]+ 207.12538 143.7
[M]- 207.12648 143.7
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.