CID 10105305

(s)-3-(boc-amino)-2,4-dimethyl-2-pentanol

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]+ 232.19072 156.8
[M+Na]+ 254.17266 160.9
[M-H]- 230.17616 155.5
[M+NH4]+ 249.21726 174.2
[M+K]+ 270.14660 161.6
[M+H-H2O]+ 214.18070 152.6
[M+HCOO]- 276.18164 173.1
[M+CH3COO]- 290.19729 193.9
[M+Na-2H]- 252.15811 158.7
[M]+ 231.18289 158.1
[M]- 231.18399 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