CID 22006367

117654-86-1

Structural Information

Molecular Formula
C16H25NO3
SMILES
CC(C)(C)OC(=O)N(CCCCO)CC1=CC=CC=C1
InChI
InChI=1S/C16H25NO3/c1-16(2,3)20-15(19)17(11-7-8-12-18)13-14-9-5-4-6-10-14/h4-6,9-10,18H,7-8,11-13H2,1-3H3
InChIKey
LJWTWHZDQSLGOH-UHFFFAOYSA-N
Compound name
tert-butyl N-benzyl-N-(4-hydroxybutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

279.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 169.6
[M+Na]+ 302.172658 173.4
[M-H]- 278.176164 172.3
[M+NH4]+ 297.217263 185.3
[M+K]+ 318.146598 172.2
[M+H-H2O]+ 262.180700 162.6
[M+HCOO]- 324.181641 190.2
[M+CH3COO]- 338.197291 202.5
[M+Na-2H]- 300.158106 172.7
[M]+ 279.18289142 172.9
[M]- 279.18398858 172.9
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