CID 469981

[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C12H24N2O2
SMILES
C1CC(N(C1)CCN2CCCC2CO)CO
InChI
InChI=1S/C12H24N2O2/c15-9-11-3-1-5-13(11)7-8-14-6-2-4-12(14)10-16/h11-12,15-16H,1-10H2
InChIKey
FCHVIHHMBFUROV-UHFFFAOYSA-N
Compound name
[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

228.18378 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 157.1
[M+Na]+ 251.17300 161.0
[M-H]- 227.17650 157.4
[M+NH4]+ 246.21760 174.4
[M+K]+ 267.14694 158.3
[M+H-H2O]+ 211.18104 149.6
[M+HCOO]- 273.18198 172.6
[M+CH3COO]- 287.19763 184.3
[M+Na-2H]- 249.15845 154.7
[M]+ 228.18323 152.2
[M]- 228.18433 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.