CID 27771

16253-32-0

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CNC(=O)OCC#CCN1CCCC1
InChI
InChI=1S/C10H16N2O2/c1-11-10(13)14-9-5-4-8-12-6-2-3-7-12/h2-3,6-9H2,1H3,(H,11,13)
InChIKey
RXERGIYKNYMWOU-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-ynyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 144.7
[M+Na]+ 219.110408 151.6
[M-H]- 195.113914 144.5
[M+NH4]+ 214.155013 161.7
[M+K]+ 235.084348 148.9
[M+H-H2O]+ 179.118450 131.4
[M+HCOO]- 241.119391 160.5
[M+CH3COO]- 255.135041 190.3
[M+Na-2H]- 217.095856 146.5
[M]+ 196.12064142 137.8
[M]- 196.12173858 137.8
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.