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]+ 254.138686 158.9
[M+Na]+ 276.120628 162.8
[M-H]- 252.124134 159.2
[M+NH4]+ 271.165233 173.9
[M+K]+ 292.094568 161.3
[M+H-H2O]+ 236.128670 152.7
[M+HCOO]- 298.129611 177.6
[M+CH3COO]- 312.145261 191.3
[M+Na-2H]- 274.106076 162.6
[M]+ 253.13086142 158.8
[M]- 253.13195858 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.