CID 98866

16160-66-0

Structural Information

Molecular Formula
C9H14N2O2
SMILES
C1CCN(C1)CC#CCOC(=O)N
InChI
InChI=1S/C9H14N2O2/c10-9(12)13-8-4-3-7-11-5-1-2-6-11/h1-2,5-8H2,(H2,10,12)
InChIKey
LLNAEUTZECOHOM-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-ynyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 141.1
[M+Na]+ 205.094748 148.3
[M-H]- 181.098254 140.6
[M+NH4]+ 200.139353 158.3
[M+K]+ 221.068688 145.6
[M+H-H2O]+ 165.102790 127.9
[M+HCOO]- 227.103731 156.6
[M+CH3COO]- 241.119381 187.6
[M+Na-2H]- 203.080196 142.5
[M]+ 182.10498142 133.0
[M]- 182.10607858 133.0
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.