CID 43136805

Tert-butyl n-(3-aminopropyl)-n-cyclopentylcarbamate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N(CCCN)C1CCCC1
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(10-6-9-14)11-7-4-5-8-11/h11H,4-10,14H2,1-3H3
InChIKey
NSRKQLOHZAIWSA-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-aminopropyl)-N-cyclopentylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 161.9
[M+Na]+ 265.188648 164.4
[M-H]- 241.192154 165.2
[M+NH4]+ 260.233253 180.9
[M+K]+ 281.162588 164.5
[M+H-H2O]+ 225.196690 155.5
[M+HCOO]- 287.197631 182.9
[M+CH3COO]- 301.213281 199.1
[M+Na-2H]- 263.174096 162.3
[M]+ 242.19888142 160.6
[M]- 242.19997858 160.6
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.