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

92
Patents

103.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 123.8
[M+Na]+ 126.08894 129.7
[M-H]- 102.09244 122.4
[M+NH4]+ 121.13354 145.7
[M+K]+ 142.06288 129.8
[M+H-H2O]+ 86.096980 119.4
[M+HCOO]- 148.09792 145.0
[M+CH3COO]- 162.11357 169.3
[M+Na-2H]- 124.07439 127.3
[M]+ 103.09917 121.0
[M]- 103.10027 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