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]+ 196.13321 143.5
[M+Na]+ 218.11515 156.6
[M-H]- 194.11865 148.5
[M+NH4]+ 213.15975 158.2
[M+K]+ 234.08909 151.5
[M+H-H2O]+ 178.12319 134.7
[M+HCOO]- 240.12413 160.9
[M+CH3COO]- 254.13978 197.1
[M+Na-2H]- 216.10060 148.2
[M]+ 195.12538 143.0
[M]- 195.12648 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.