CID 71427234

Dtxsid70845980

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C)OC(=O)N(CC#C)C1CC1
InChI
InChI=1S/C11H17NO2/c1-5-8-12(9-6-7-9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3
InChIKey
NPYLASUMIHNVPG-UHFFFAOYSA-N
Compound name
tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 145.5
[M+Na]+ 218.11515 155.2
[M+NH4]+ 213.15975 149.7
[M+K]+ 234.08909 149.7
[M-H]- 194.11865 144.4
[M+Na-2H]- 216.10060 148.8
[M]+ 195.12538 146.6
[M]- 195.12648 146.6
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.