CID 84728249

Tert-butyl n-(1-amino-3-cyclopentylpropan-2-yl)carbamate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NC(CC1CCCC1)CN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11(9-14)8-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKey
XDBDAROJNPGLFV-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-cyclopentylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 162.2
[M+Na]+ 265.188648 164.2
[M-H]- 241.192154 164.0
[M+NH4]+ 260.233253 180.3
[M+K]+ 281.162588 163.4
[M+H-H2O]+ 225.196690 155.9
[M+HCOO]- 287.197631 181.6
[M+CH3COO]- 301.213281 196.6
[M+Na-2H]- 263.174096 162.1
[M]+ 242.19888142 158.9
[M]- 242.19997858 158.9
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

No patent data available for this compound.