CID 10921308

157394-45-1

Structural Information

Molecular Formula
C9H19NO3
SMILES
C[C@@H]([C@H](C)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H19NO3/c1-6(7(2)11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t6-,7-/m0/s1
InChIKey
CHYWVAGOJXWXIK-BQBZGAKWSA-N
Compound name
tert-butyl N-[(2S,3S)-3-hydroxybutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 145.3
[M+Na]+ 212.12571 150.2
[M-H]- 188.12921 144.2
[M+NH4]+ 207.17031 164.2
[M+K]+ 228.09965 151.0
[M+H-H2O]+ 172.13375 140.7
[M+HCOO]- 234.13469 164.1
[M+CH3COO]- 248.15034 184.4
[M+Na-2H]- 210.11116 147.5
[M]+ 189.13594 145.9
[M]- 189.13704 145.9
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

No patent data available for this compound.