CID 3016656

1-amino-2-methylbutan-2-ol

Structural Information

Molecular Formula
C5H13NO
SMILES
CCC(C)(CN)O
InChI
InChI=1S/C5H13NO/c1-3-5(2,7)4-6/h7H,3-4,6H2,1-2H3
InChIKey
LHYVEOGDJNQNEW-UHFFFAOYSA-N
Compound name
1-amino-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

892
Patents

103.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.5
[M+Na]+ 126.08894 129.4
[M-H]- 102.09244 121.3
[M+NH4]+ 121.13354 144.7
[M+K]+ 142.06288 128.9
[M+H-H2O]+ 86.096980 118.8
[M+HCOO]- 148.09792 144.2
[M+CH3COO]- 162.11357 167.8
[M+Na-2H]- 124.07439 129.3
[M]+ 103.09917 120.6
[M]- 103.10027 120.6
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

No patent data available for this compound.