CID 11447316

473545-40-3

Structural Information

Molecular Formula
C10H21NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(C)(C)O
InChI
InChI=1S/C10H21NO4/c1-9(2,3)15-8(13)11-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKey
ZCNIHVVSMKRMGN-SSDOTTSWSA-N
Compound name
tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

219.14706 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15434 151.8
[M+Na]+ 242.13628 156.4
[M-H]- 218.13978 149.3
[M+NH4]+ 237.18088 168.9
[M+K]+ 258.11022 156.6
[M+H-H2O]+ 202.14432 147.7
[M+HCOO]- 264.14526 168.4
[M+CH3COO]- 278.16091 186.6
[M+Na-2H]- 240.12173 155.4
[M]+ 219.14651 152.5
[M]- 219.14761 152.5
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