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

12
Patents

214.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 156.6
[M+Na]+ 237.157338 159.2
[M-H]- 213.160844 159.0
[M+NH4]+ 232.201943 169.7
[M+K]+ 253.131278 161.9
[M+H-H2O]+ 197.165380 146.2
[M+HCOO]- 259.166321 176.1
[M+CH3COO]- 273.181971 194.2
[M+Na-2H]- 235.142786 160.1
[M]+ 214.16757142 163.7
[M]- 214.16866858 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