CID 138991125

2309463-60-1

Structural Information

Molecular Formula
C11H21FN2O2
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)CN)F
InChI
InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-7-11(12)4-8(5-11)6-13/h8H,4-7,13H2,1-3H3,(H,14,15)
InChIKey
IQSIKSXWWNGZSE-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16598 159.5
[M+Na]+ 255.14792 163.0
[M-H]- 231.15142 160.9
[M+NH4]+ 250.19252 172.1
[M+K]+ 271.12186 165.3
[M+H-H2O]+ 215.15596 148.5
[M+HCOO]- 277.15690 178.0
[M+CH3COO]- 291.17255 198.0
[M+Na-2H]- 253.13337 161.8
[M]+ 232.15815 165.8
[M]- 232.15925 165.8
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.