CID 43448

60752-81-0

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CCCNC(=O)OC1CN(C1)C(C)(C)C#C
InChI
InChI=1S/C12H20N2O2/c1-5-7-13-11(15)16-10-8-14(9-10)12(3,4)6-2/h2,10H,5,7-9H2,1,3-4H3,(H,13,15)
InChIKey
BVFVHHOKJRTFPQ-UHFFFAOYSA-N
Compound name
[1-(2-methylbut-3-yn-2-yl)azetidin-3-yl] N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 151.1
[M+Na]+ 247.141698 156.2
[M-H]- 223.145204 151.4
[M+NH4]+ 242.186303 160.0
[M+K]+ 263.115638 159.0
[M+H-H2O]+ 207.149740 134.0
[M+HCOO]- 269.150681 163.8
[M+CH3COO]- 283.166331 202.6
[M+Na-2H]- 245.127146 153.1
[M]+ 224.15193142 154.1
[M]- 224.15302858 154.1
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.