CID 12542086

3-amino-2-methylbutan-1-ol

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(CO)C(C)N
InChI
InChI=1S/C5H13NO/c1-4(3-7)5(2)6/h4-5,7H,3,6H2,1-2H3
InChIKey
PTQQVFJSDCETDR-UHFFFAOYSA-N
Compound name
3-amino-2-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

103.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.106996 123.8
[M+Na]+ 126.088938 129.7
[M-H]- 102.092444 122.4
[M+NH4]+ 121.133543 145.7
[M+K]+ 142.062878 129.8
[M+H-H2O]+ 86.096980 119.4
[M+HCOO]- 148.097921 145.0
[M+CH3COO]- 162.113571 169.3
[M+Na-2H]- 124.074386 127.3
[M]+ 103.09917142 121.0
[M]- 103.10026858 121.0
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