CID 115024681

Tert-butyl n-(4-amino-3-fluorobutyl)carbamate hydrochloride

Structural Information

Molecular Formula
C9H19FN2O2
SMILES
CC(C)(C)OC(=O)NCCC(CN)F
InChI
InChI=1S/C9H19FN2O2/c1-9(2,3)14-8(13)12-5-4-7(10)6-11/h7H,4-6,11H2,1-3H3,(H,12,13)
InChIKey
IQQPJGQLLZPVBH-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-3-fluorobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.14305 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15033 149.0
[M+Na]+ 229.13227 153.7
[M-H]- 205.13577 147.2
[M+NH4]+ 224.17687 167.3
[M+K]+ 245.10621 153.6
[M+H-H2O]+ 189.14031 142.7
[M+HCOO]- 251.14125 169.4
[M+CH3COO]- 265.15690 191.1
[M+Na-2H]- 227.11772 151.4
[M]+ 206.14250 147.6
[M]- 206.14360 147.6
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.