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

53
Patents

221.14159 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.5
[M+Na]+ 244.13081 157.3
[M-H]- 220.13431 153.7
[M+NH4]+ 239.17541 168.9
[M+K]+ 260.10475 153.4
[M+H-H2O]+ 204.13885 144.5
[M+HCOO]- 266.13979 170.2
[M+CH3COO]- 280.15544 183.4
[M+Na-2H]- 242.11626 153.2
[M]+ 221.14104 148.5
[M]- 221.14214 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