CID 392340

Nsc692616

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)N(C(=O)OC(C)(C)C)OCC=C
InChI
InChI=1S/C12H23NO3/c1-8-9-15-13(11(2,3)4)10(14)16-12(5,6)7/h8H,1,9H2,2-7H3
InChIKey
IXLZKHJLUMVROD-UHFFFAOYSA-N
Compound name
tert-butyl N-tert-butyl-N-prop-2-enoxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 154.7
[M+Na]+ 252.15702 160.4
[M-H]- 228.16052 156.3
[M+NH4]+ 247.20162 173.7
[M+K]+ 268.13096 161.6
[M+H-H2O]+ 212.16506 150.0
[M+HCOO]- 274.16600 175.3
[M+CH3COO]- 288.18165 196.6
[M+Na-2H]- 250.14247 158.9
[M]+ 229.16725 159.8
[M]- 229.16835 159.8
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.