CID 14965762

(2s)-2-(dimethylamino)-3-methylbutan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)[C@@H](CO)N(C)C
InChI
InChI=1S/C7H17NO/c1-6(2)7(5-9)8(3)4/h6-7,9H,5H2,1-4H3/t7-/m1/s1
InChIKey
IJCTUOXPCFLJLV-SSDOTTSWSA-N
Compound name
(2S)-2-(dimethylamino)-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

131.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 132.0
[M+Na]+ 154.120228 137.3
[M-H]- 130.123734 132.4
[M+NH4]+ 149.164833 153.8
[M+K]+ 170.094168 138.7
[M+H-H2O]+ 114.128270 127.2
[M+HCOO]- 176.129211 153.8
[M+CH3COO]- 190.144861 179.6
[M+Na-2H]- 152.105676 134.9
[M]+ 131.13046142 132.3
[M]- 131.13155858 132.3
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