CID 392339

Nsc692615

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)N(C(=O)OC(C)(C)C)OCCC=C
InChI
InChI=1S/C13H25NO3/c1-8-9-10-16-14(12(2,3)4)11(15)17-13(5,6)7/h8H,1,9-10H2,2-7H3
InChIKey
QTKITMITOUUYMZ-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-enoxy-N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.18344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 159.4
[M+Na]+ 266.17266 164.7
[M-H]- 242.17616 160.9
[M+NH4]+ 261.21726 177.9
[M+K]+ 282.14660 165.6
[M+H-H2O]+ 226.18070 154.6
[M+HCOO]- 288.18164 179.7
[M+CH3COO]- 302.19729 199.6
[M+Na-2H]- 264.15811 163.1
[M]+ 243.18289 165.0
[M]- 243.18399 165.0
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.