CID 106842157

(2s)-n-(4-hydroxybutyl)pyrrolidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C9H18N2O2
SMILES
C1C[C@H](NC1)C(=O)NCCCCO
InChI
InChI=1S/C9H18N2O2/c12-7-2-1-5-11-9(13)8-4-3-6-10-8/h8,10,12H,1-7H2,(H,11,13)/t8-/m0/s1
InChIKey
KUZHHVHIZPPYAV-QMMMGPOBSA-N
Compound name
(2S)-N-(4-hydroxybutyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.7
[M+Na]+ 209.126048 148.1
[M-H]- 185.129554 143.0
[M+NH4]+ 204.170653 162.7
[M+K]+ 225.099988 145.8
[M+H-H2O]+ 169.134090 137.9
[M+HCOO]- 231.135031 163.3
[M+CH3COO]- 245.150681 177.8
[M+Na-2H]- 207.111496 146.6
[M]+ 186.13628142 139.7
[M]- 186.13737858 139.7
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.