CID 10706031

Benzyl (s)-(1,3-dihydroxy-3-methylbutan-2-yl)carbamate

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)([C@H](CO)NC(=O)OCC1=CC=CC=C1)O
InChI
InChI=1S/C13H19NO4/c1-13(2,17)11(8-15)14-12(16)18-9-10-6-4-3-5-7-10/h3-7,11,15,17H,8-9H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKey
GSSZECAGHJDVGM-NSHDSACASA-N
Compound name
benzyl N-[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 158.9
[M+Na]+ 276.12063 162.8
[M-H]- 252.12413 159.2
[M+NH4]+ 271.16523 173.9
[M+K]+ 292.09457 161.3
[M+H-H2O]+ 236.12867 152.7
[M+HCOO]- 298.12961 177.6
[M+CH3COO]- 312.14526 191.3
[M+Na-2H]- 274.10608 162.6
[M]+ 253.13086 158.8
[M]- 253.13196 158.8
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.