CID 3051384

67465-06-9

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C)C1CC(CN1)(C2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO/c1-10(2)12-8-13(15,9-14-12)11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3
InChIKey
ZHVTYJDKQUPCBT-UHFFFAOYSA-N
Compound name
3-phenyl-5-propan-2-ylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.9
[M+Na]+ 228.13589 154.6
[M-H]- 204.13939 151.3
[M+NH4]+ 223.18049 168.8
[M+K]+ 244.10983 150.9
[M+H-H2O]+ 188.14393 142.7
[M+HCOO]- 250.14487 166.5
[M+CH3COO]- 264.16052 180.6
[M+Na-2H]- 226.12134 151.2
[M]+ 205.14612 143.8
[M]- 205.14722 143.8
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.