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]+ 243.131476 151.8
[M+Na]+ 265.113418 157.7
[M-H]- 241.116924 147.8
[M+NH4]+ 260.158023 168.7
[M+K]+ 281.087358 157.3
[M+H-H2O]+ 225.121460 144.9
[M+HCOO]- 287.122401 167.9
[M+CH3COO]- 301.138051 196.1
[M+Na-2H]- 263.098866 156.4
[M]+ 242.12365142 147.2
[M]- 242.12474858 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

patents stripe