CID 122235340

Tert-butyl (3-(aminomethyl)bicyclo[1.1.1]pentan-1-yl)carbamate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)CN
InChI
InChI=1S/C11H20N2O2/c1-9(2,3)15-8(14)13-11-4-10(5-11,6-11)7-12/h4-7,12H2,1-3H3,(H,13,14)
InChIKey
UFBJOKMOUWUJNE-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

212.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 179.1
[M+Na]+ 235.14170 179.9
[M-H]- 211.14520 181.1
[M+NH4]+ 230.18630 183.0
[M+K]+ 251.11564 186.5
[M+H-H2O]+ 195.14974 164.4
[M+HCOO]- 257.15068 190.0
[M+CH3COO]- 271.16633 216.7
[M+Na-2H]- 233.12715 182.8
[M]+ 212.15193 202.5
[M]- 212.15303 202.5
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