CID 90136051

Tert-butyl n-(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamate

Structural Information

Molecular Formula
C9H17F3N2O2
SMILES
CC(C)(C)OC(=O)NCC(C)(C(F)(F)F)N
InChI
InChI=1S/C9H17F3N2O2/c1-7(2,3)16-6(15)14-5-8(4,13)9(10,11)12/h5,13H2,1-4H3,(H,14,15)
InChIKey
VUJYUXIYKIAWQB-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-3,3,3-trifluoro-2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

242.1242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13148 151.8
[M+Na]+ 265.11342 157.7
[M-H]- 241.11692 147.8
[M+NH4]+ 260.15802 168.7
[M+K]+ 281.08736 157.3
[M+H-H2O]+ 225.12146 144.9
[M+HCOO]- 287.12240 167.9
[M+CH3COO]- 301.13805 196.1
[M+Na-2H]- 263.09887 156.4
[M]+ 242.12365 147.2
[M]- 242.12475 147.2
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.