CID 10105305

157035-77-3

Structural Information

Molecular Formula
C12H25NO3
SMILES
CC(C)[C@@H](C(C)(C)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H25NO3/c1-8(2)9(12(6,7)15)13-10(14)16-11(3,4)5/h8-9,15H,1-7H3,(H,13,14)/t9-/m0/s1
InChIKey
AWLRFWWWKJXWTQ-VIFPVBQESA-N
Compound name
tert-butyl N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

231.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.190716 156.8
[M+Na]+ 254.172658 160.9
[M-H]- 230.176164 155.5
[M+NH4]+ 249.217263 174.2
[M+K]+ 270.146598 161.6
[M+H-H2O]+ 214.180700 152.6
[M+HCOO]- 276.181641 173.1
[M+CH3COO]- 290.197291 193.9
[M+Na-2H]- 252.158106 158.7
[M]+ 231.18289142 158.1
[M]- 231.18398858 158.1
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