CID 11263954

Tert-butyl n-[(2s)-1-hydroxybutan-2-yl]carbamate

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

303
Patents

189.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.143766 145.6
[M+Na]+ 212.125708 150.7
[M-H]- 188.129214 144.4
[M+NH4]+ 207.170313 164.6
[M+K]+ 228.099648 151.0
[M+H-H2O]+ 172.133750 140.9
[M+HCOO]- 234.134691 165.4
[M+CH3COO]- 248.150341 183.5
[M+Na-2H]- 210.111156 149.0
[M]+ 189.13594142 146.9
[M]- 189.13703858 146.9
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

patents stripe