CID 107202715

N-boc 5-(methylamino)pentan-1-ol

Structural Information

Molecular Formula
C11H23NO3
SMILES
CC(C)(C)OC(=O)N(C)CCCCCO
InChI
InChI=1S/C11H23NO3/c1-11(2,3)15-10(14)12(4)8-6-5-7-9-13/h13H,5-9H2,1-4H3
InChIKey
YSOOJRBYFOQOHW-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-hydroxypentyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

217.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.17508 153.0
[M+Na]+ 240.15702 159.9
[M+NH4]+ 235.20162 158.6
[M+K]+ 256.13096 156.6
[M-H]- 216.16052 150.7
[M+Na-2H]- 238.14247 154.2
[M]+ 217.16725 152.9
[M]- 217.16835 152.9
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

patents stripe