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

30
Patents

279.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 169.6
[M+Na]+ 302.17266 173.4
[M-H]- 278.17616 172.3
[M+NH4]+ 297.21726 185.3
[M+K]+ 318.14660 172.2
[M+H-H2O]+ 262.18070 162.6
[M+HCOO]- 324.18164 190.2
[M+CH3COO]- 338.19729 202.5
[M+Na-2H]- 300.15811 172.7
[M]+ 279.18289 172.9
[M]- 279.18399 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