CID 19843

Brn 1372792

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CN(C)C(=O)OCC#CCN1CCCC1
InChI
InChI=1S/C11H18N2O2/c1-12(2)11(14)15-10-6-5-9-13-7-3-4-8-13/h3-4,7-10H2,1-2H3
InChIKey
NMOFRJYUOJLQCW-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-ynyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 148.6
[M+Na]+ 233.126048 155.3
[M-H]- 209.129554 149.6
[M+NH4]+ 228.170653 165.7
[M+K]+ 249.099988 153.5
[M+H-H2O]+ 193.134090 135.0
[M+HCOO]- 255.135031 164.5
[M+CH3COO]- 269.150681 196.1
[M+Na-2H]- 231.111496 149.3
[M]+ 210.13628142 143.1
[M]- 210.13737858 143.1
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.