CID 11263954

150736-72-4

Structural Information

Molecular Formula
C9H19NO3
SMILES
CC[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H19NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKey
LQRGWGOFPUXNOV-ZETCQYMHSA-N
Compound name
tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

189.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 144.7
[M+Na]+ 212.12571 151.5
[M+NH4]+ 207.17031 150.2
[M+K]+ 228.09965 148.9
[M-H]- 188.12921 142.0
[M+Na-2H]- 210.11116 145.7
[M]+ 189.13594 144.4
[M]- 189.13704 144.4
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

patents stripe