CID 3051403

3-(4-methylphenyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1=CC=C(C=C1)C2(CCNC2)O
InChI
InChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)11(13)6-7-12-8-11/h2-5,12-13H,6-8H2,1H3
InChIKey
VIJOQUBTZLXSIM-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.5
[M+Na]+ 200.104588 146.4
[M-H]- 176.108094 142.2
[M+NH4]+ 195.149193 160.6
[M+K]+ 216.078528 142.6
[M+H-H2O]+ 160.112630 133.5
[M+HCOO]- 222.113571 158.9
[M+CH3COO]- 236.129221 173.7
[M+Na-2H]- 198.090036 144.1
[M]+ 177.11482142 134.4
[M]- 177.11591858 134.4
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.