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

20
Patents

216.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.191056 155.4
[M+Na]+ 239.172998 159.7
[M-H]- 215.176504 156.1
[M+NH4]+ 234.217603 174.2
[M+K]+ 255.146938 160.4
[M+H-H2O]+ 199.181040 149.6
[M+HCOO]- 261.181981 177.7
[M+CH3COO]- 275.197631 197.1
[M+Na-2H]- 237.158446 157.9
[M]+ 216.18323142 158.0
[M]- 216.18432858 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

patents stripe