CID 21636957

Tert-butyl n-(2-benzyl-3-hydroxypropyl)carbamate

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)CO
InChI
InChI=1S/C15H23NO3/c1-15(2,3)19-14(18)16-10-13(11-17)9-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)
InChIKey
MZROITKHJJJGJI-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-benzyl-3-hydroxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

265.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 165.3
[M+Na]+ 288.157018 169.1
[M-H]- 264.160524 166.8
[M+NH4]+ 283.201623 180.8
[M+K]+ 304.130958 167.3
[M+H-H2O]+ 248.165060 158.8
[M+HCOO]- 310.166001 184.7
[M+CH3COO]- 324.181651 197.0
[M+Na-2H]- 286.142466 168.4
[M]+ 265.16725142 166.3
[M]- 265.16834858 166.3
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