CID 3051399

67465-14-9

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1C(CCN1)(C2=C(C=CC(=C2)C)C)O
InChI
InChI=1S/C13H19NO/c1-9-4-5-10(2)12(8-9)13(15)6-7-14-11(13)3/h4-5,8,11,14-15H,6-7H2,1-3H3
InChIKey
KSLRKTMWALYFIS-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-2-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.2
[M+Na]+ 228.13589 155.2
[M-H]- 204.13939 150.4
[M+NH4]+ 223.18049 167.9
[M+K]+ 244.10983 150.9
[M+H-H2O]+ 188.14393 141.6
[M+HCOO]- 250.14487 165.9
[M+CH3COO]- 264.16052 182.1
[M+Na-2H]- 226.12134 149.5
[M]+ 205.14612 143.6
[M]- 205.14722 143.6
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.