CID 84728230

1697880-07-1

Structural Information

Molecular Formula
C9H17F3N2O2
SMILES
CC(C)(C)OC(=O)NCC(CN)C(F)(F)F
InChI
InChI=1S/C9H17F3N2O2/c1-8(2,3)16-7(15)14-5-6(4-13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKey
IYVOWDZHVOJAMV-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(aminomethyl)-3,3,3-trifluoropropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 152.9
[M+Na]+ 265.11342 158.2
[M-H]- 241.11692 148.6
[M+NH4]+ 260.15802 169.7
[M+K]+ 281.08736 157.7
[M+H-H2O]+ 225.12146 145.3
[M+HCOO]- 287.12240 169.5
[M+CH3COO]- 301.13805 196.4
[M+Na-2H]- 263.09887 155.1
[M]+ 242.12365 148.3
[M]- 242.12475 148.3
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.