CID 137333083

1914943-50-2

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C)OC(=O)NC(C#C)C1CC1
InChI
InChI=1S/C11H17NO2/c1-5-9(8-6-7-8)12-10(13)14-11(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,12,13)
InChIKey
OGAPRXCKUGTVQU-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyclopropylprop-2-ynyl)carbamate
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 143.5
[M+Na]+ 218.115148 156.6
[M-H]- 194.118654 148.5
[M+NH4]+ 213.159753 158.2
[M+K]+ 234.089088 151.5
[M+H-H2O]+ 178.123190 134.7
[M+HCOO]- 240.124131 160.9
[M+CH3COO]- 254.139781 197.1
[M+Na-2H]- 216.100596 148.2
[M]+ 195.12538142 143.0
[M]- 195.12647858 143.0
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.