CID 55280976

163453-95-0

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)[C@@H](C(C)(C)O)N
InChI
InChI=1S/C7H17NO/c1-5(2)6(8)7(3,4)9/h5-6,9H,8H2,1-4H3/t6-/m0/s1
InChIKey
HPSNEEWVFSIINY-LURJTMIESA-N
Compound name
(3S)-3-amino-2,4-dimethylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

131.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 131.9
[M+Na]+ 154.12023 137.5
[M-H]- 130.12373 130.5
[M+NH4]+ 149.16483 152.9
[M+K]+ 170.09417 137.4
[M+H-H2O]+ 114.12827 127.9
[M+HCOO]- 176.12921 150.9
[M+CH3COO]- 190.14486 175.7
[M+Na-2H]- 152.10568 135.1
[M]+ 131.13046 129.4
[M]- 131.13156 129.4
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