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]+ 211.14411 148.6
[M+Na]+ 233.12605 155.3
[M-H]- 209.12955 149.6
[M+NH4]+ 228.17065 165.7
[M+K]+ 249.09999 153.5
[M+H-H2O]+ 193.13409 135.0
[M+HCOO]- 255.13503 164.5
[M+CH3COO]- 269.15068 196.1
[M+Na-2H]- 231.11150 149.3
[M]+ 210.13628 143.1
[M]- 210.13738 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.