CID 4271883

Tert-butyl n-butylcarbamate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C9H19NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKey
MXSNQMUVXLVDHI-UHFFFAOYSA-N
Compound name
tert-butyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

861
Patents

173.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 142.1
[M+Na]+ 196.130808 148.0
[M-H]- 172.134314 142.3
[M+NH4]+ 191.175413 162.6
[M+K]+ 212.104748 148.2
[M+H-H2O]+ 156.138850 137.4
[M+HCOO]- 218.139791 164.2
[M+CH3COO]- 232.155441 183.2
[M+Na-2H]- 194.116256 147.2
[M]+ 173.14104142 144.6
[M]- 173.14213858 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe