CID 13814311

1256106-48-5

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1C(C(CN1CC2=CC=CC=C2)CO)CO
InChI
InChI=1S/C13H19NO2/c15-9-12-7-14(8-13(12)10-16)6-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2
InChIKey
HLFKLRXUZKUZOP-UHFFFAOYSA-N
Compound name
[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

221.14159 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.5
[M+Na]+ 244.130808 157.3
[M-H]- 220.134314 153.7
[M+NH4]+ 239.175413 168.9
[M+K]+ 260.104748 153.4
[M+H-H2O]+ 204.138850 144.5
[M+HCOO]- 266.139791 170.2
[M+CH3COO]- 280.155441 183.4
[M+Na-2H]- 242.116256 153.2
[M]+ 221.14104142 148.5
[M]- 221.14213858 148.5
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

patents stripe