CID 2734079

L-tert-leucinol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)(C)[C@@H](CO)N
InChI
InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m1/s1
InChIKey
JBULSURVMXPBNA-RXMQYKEDSA-N
Compound name
(2S)-2-amino-3,3-dimethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1853
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.2
[M+Na]+ 140.10458 134.5
[M+NH4]+ 135.14919 133.7
[M+K]+ 156.07852 131.1
[M-H]- 116.10809 125.0
[M+Na-2H]- 138.09003 129.0
[M]+ 117.11482 126.8
[M]- 117.11591 126.8
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