CID 10332121

Tert-butyl n-(8-hydroxyoctyl)carbamate

Structural Information

Molecular Formula
C13H27NO3
SMILES
CC(C)(C)OC(=O)NCCCCCCCCO
InChI
InChI=1S/C13H27NO3/c1-13(2,3)17-12(16)14-10-8-6-4-5-7-9-11-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKey
ZXNLQLJANDBXLE-UHFFFAOYSA-N
Compound name
tert-butyl N-(8-hydroxyoctyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

245.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.20638 163.9
[M+Na]+ 268.18832 167.5
[M-H]- 244.19182 161.8
[M+NH4]+ 263.23292 180.7
[M+K]+ 284.16226 166.3
[M+H-H2O]+ 228.19636 158.3
[M+HCOO]- 290.19730 183.3
[M+CH3COO]- 304.21295 194.7
[M+Na-2H]- 266.17377 166.4
[M]+ 245.19855 167.3
[M]- 245.19965 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe