CID 112725646

N-(3-hydroxypropyl)pyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C8H16N2O2
SMILES
C1CCN(C1)C(=O)NCCCO
InChI
InChI=1S/C8H16N2O2/c11-7-3-4-9-8(12)10-5-1-2-6-10/h11H,1-7H2,(H,9,12)
InChIKey
SNXDXSGZOJSOAB-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 140.0
[M+Na]+ 195.110408 144.4
[M-H]- 171.113914 140.0
[M+NH4]+ 190.155013 159.5
[M+K]+ 211.084348 143.3
[M+H-H2O]+ 155.118450 133.3
[M+HCOO]- 217.119391 160.5
[M+CH3COO]- 231.135041 176.6
[M+Na-2H]- 193.095856 143.0
[M]+ 172.12064142 136.5
[M]- 172.12173858 136.5
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

No patent data available for this compound.