CID 6452140

49571-03-1

Structural Information

Molecular Formula
C11H23NO2
SMILES
CC(C)COCC(CN1CCCC1)O
InChI
InChI=1S/C11H23NO2/c1-10(2)8-14-9-11(13)7-12-5-3-4-6-12/h10-11,13H,3-9H2,1-2H3
InChIKey
ZZUOXVBESBSCPQ-UHFFFAOYSA-N
Compound name
1-(2-methylpropoxy)-3-pyrrolidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

201.17288 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 151.8
[M+Na]+ 224.162098 155.1
[M-H]- 200.165604 151.3
[M+NH4]+ 219.206703 170.4
[M+K]+ 240.136038 154.4
[M+H-H2O]+ 184.170140 145.1
[M+HCOO]- 246.171081 169.1
[M+CH3COO]- 260.186731 183.9
[M+Na-2H]- 222.147546 151.5
[M]+ 201.17233142 150.4
[M]- 201.17342858 150.4
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

patents stripe