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]+ 225.15976 151.1
[M+Na]+ 247.14170 156.2
[M-H]- 223.14520 151.4
[M+NH4]+ 242.18630 160.0
[M+K]+ 263.11564 159.0
[M+H-H2O]+ 207.14974 134.0
[M+HCOO]- 269.15068 163.8
[M+CH3COO]- 283.16633 202.6
[M+Na-2H]- 245.12715 153.1
[M]+ 224.15193 154.1
[M]- 224.15303 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.