CID 23599737

Tert-butyl n-(5-aminohexyl)carbamate

Structural Information

Molecular Formula
C11H24N2O2
SMILES
CC(CCCCNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C11H24N2O2/c1-9(12)7-5-6-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKey
OEEWEINPDBGECK-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-aminohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

216.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19106 155.9
[M+Na]+ 239.17300 159.7
[M-H]- 215.17650 155.1
[M+NH4]+ 234.21760 173.9
[M+K]+ 255.14694 159.6
[M+H-H2O]+ 199.18104 150.2
[M+HCOO]- 261.18198 176.6
[M+CH3COO]- 275.19763 194.5
[M+Na-2H]- 237.15845 157.8
[M]+ 216.18323 156.5
[M]- 216.18433 156.5
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