CID 68109564

Tert-butyl n-(2-amino-2-cyclopentylethyl)carbamate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)NCC(C1CCCC1)N
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-10(13)9-6-4-5-7-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKey
YMJKXSPQOOJCBY-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-2-cyclopentylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 157.6
[M+Na]+ 251.17300 160.1
[M-H]- 227.17650 159.6
[M+NH4]+ 246.21760 176.4
[M+K]+ 267.14694 159.5
[M+H-H2O]+ 211.18104 151.5
[M+HCOO]- 273.18198 177.4
[M+CH3COO]- 287.19763 193.6
[M+Na-2H]- 249.15845 158.0
[M]+ 228.18323 153.9
[M]- 228.18433 153.9
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