CID 93502779

2290891-86-8

Structural Information

Molecular Formula
C10H21NO3
SMILES
CC[C@H](CCO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H21NO3/c1-5-8(6-7-12)11-9(13)14-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKey
BUQMELIOJVZHGM-MRVPVSSYSA-N
Compound name
tert-butyl N-[(3R)-1-hydroxypentan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.159426 150.2
[M+Na]+ 226.141368 154.9
[M-H]- 202.144874 148.8
[M+NH4]+ 221.185973 168.6
[M+K]+ 242.115308 154.9
[M+H-H2O]+ 186.149410 145.4
[M+HCOO]- 248.150351 169.7
[M+CH3COO]- 262.166001 186.5
[M+Na-2H]- 224.126816 153.1
[M]+ 203.15160142 151.9
[M]- 203.15269858 151.9
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

No patent data available for this compound.