CID 220878

3-amino-2-methyl-2-butanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1301
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 122.7
[M+Na]+ 126.08894 129.3
[M-H]- 102.09244 121.5
[M+NH4]+ 121.13354 144.8
[M+K]+ 142.06288 129.3
[M+H-H2O]+ 86.096980 119.0
[M+HCOO]- 148.09792 143.4
[M+CH3COO]- 162.11357 168.7
[M+Na-2H]- 124.07439 128.2
[M]+ 103.09917 120.1
[M]- 103.10027 120.1
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