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]+ 204.15943 150.2
[M+Na]+ 226.14137 154.9
[M-H]- 202.14487 148.8
[M+NH4]+ 221.18597 168.6
[M+K]+ 242.11531 154.9
[M+H-H2O]+ 186.14941 145.4
[M+HCOO]- 248.15035 169.7
[M+CH3COO]- 262.16600 186.5
[M+Na-2H]- 224.12682 153.1
[M]+ 203.15160 151.9
[M]- 203.15270 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.