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]+ 233.165976 159.5
[M+Na]+ 255.147918 163.0
[M-H]- 231.151424 160.9
[M+NH4]+ 250.192523 172.1
[M+K]+ 271.121858 165.3
[M+H-H2O]+ 215.155960 148.5
[M+HCOO]- 277.156901 178.0
[M+CH3COO]- 291.172551 198.0
[M+Na-2H]- 253.133366 161.8
[M]+ 232.15815142 165.8
[M]- 232.15924858 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.