CID 177798242

Tert-butyl n-(3-ethynyl-3-methylcyclobutyl)carbamate

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC1(CC(C1)NC(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C12H19NO2/c1-6-12(5)7-9(8-12)13-10(14)15-11(2,3)4/h1,9H,7-8H2,2-5H3,(H,13,14)
InChIKey
QCJMWYJXRQCZOM-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-ethynyl-3-methylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 150.1
[M+Na]+ 232.130808 156.9
[M-H]- 208.134314 152.8
[M+NH4]+ 227.175413 163.0
[M+K]+ 248.104748 158.8
[M+H-H2O]+ 192.138850 135.9
[M+HCOO]- 254.139791 164.3
[M+CH3COO]- 268.155441 199.4
[M+Na-2H]- 230.116256 153.2
[M]+ 209.14104142 153.3
[M]- 209.14213858 153.3
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.