CID 87428056

Tert-butyl (5-aminopentyl)(methyl)carbamate

Structural Information

Molecular Formula
C11H24N2O2
SMILES
CC(C)(C)OC(=O)N(C)CCCCCN
InChI
InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13(4)9-7-5-6-8-12/h5-9,12H2,1-4H3
InChIKey
YCOHYDFQUQNMJQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-aminopentyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

216.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19106 155.4
[M+Na]+ 239.17300 159.7
[M-H]- 215.17650 156.1
[M+NH4]+ 234.21760 174.2
[M+K]+ 255.14694 160.4
[M+H-H2O]+ 199.18104 149.6
[M+HCOO]- 261.18198 177.7
[M+CH3COO]- 275.19763 197.1
[M+Na-2H]- 237.15845 157.9
[M]+ 216.18323 158.0
[M]- 216.18433 158.0
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.