CID 71427234

918422-86-3

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]+ 196.133206 143.4
[M+Na]+ 218.115148 156.8
[M-H]- 194.118654 149.6
[M+NH4]+ 213.159753 158.7
[M+K]+ 234.089088 152.5
[M+H-H2O]+ 178.123190 134.3
[M+HCOO]- 240.124131 162.1
[M+CH3COO]- 254.139781 199.3
[M+Na-2H]- 216.100596 148.5
[M]+ 195.12538142 144.5
[M]- 195.12647858 144.5
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.