CID 24275485

[1-(4-methoxyphenyl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC=C(C=C1)N2CCC(C2)CO
InChI
InChI=1S/C12H17NO2/c1-15-12-4-2-11(3-5-12)13-7-6-10(8-13)9-14/h2-5,10,14H,6-9H2,1H3
InChIKey
PFJUHUNKVLCGRR-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.4
[M+Na]+ 230.115148 153.1
[M-H]- 206.118654 150.3
[M+NH4]+ 225.159753 165.2
[M+K]+ 246.089088 150.4
[M+H-H2O]+ 190.123190 139.4
[M+HCOO]- 252.124131 167.0
[M+CH3COO]- 266.139781 182.9
[M+Na-2H]- 228.100596 149.2
[M]+ 207.12538142 145.0
[M]- 207.12647858 145.0
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.