CID 70845889

Tert-butyl n-{[1-(aminomethyl)cyclobutyl]methyl}carbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)NCC1(CCC1)CN
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-11(7-12)5-4-6-11/h4-8,12H2,1-3H3,(H,13,14)
InChIKey
SPDDULNAYNIRIQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(aminomethyl)cyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

214.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 156.6
[M+Na]+ 237.15734 159.2
[M-H]- 213.16084 159.0
[M+NH4]+ 232.20194 169.7
[M+K]+ 253.13128 161.9
[M+H-H2O]+ 197.16538 146.2
[M+HCOO]- 259.16632 176.1
[M+CH3COO]- 273.18197 194.2
[M+Na-2H]- 235.14279 160.1
[M]+ 214.16757 163.7
[M]- 214.16867 163.7
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