CID 15287812

183793-49-9

Structural Information

Molecular Formula
C9H19NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CO)COC
InChI
InChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKey
CMWJWKLWQJMPMM-SSDOTTSWSA-N
Compound name
tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

205.13141 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.138686 148.1
[M+Na]+ 228.120628 153.2
[M-H]- 204.124134 146.9
[M+NH4]+ 223.165233 166.4
[M+K]+ 244.094568 154.0
[M+H-H2O]+ 188.128670 143.2
[M+HCOO]- 250.129611 168.1
[M+CH3COO]- 264.145261 185.6
[M+Na-2H]- 226.106076 151.7
[M]+ 205.13086142 150.9
[M]- 205.13195858 150.9
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

patents stripe