CID 3016233

1-amino-2,2-dimethylpropan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

103.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.106996 122.9
[M+Na]+ 126.088938 129.6
[M-H]- 102.092444 121.8
[M+NH4]+ 121.133543 145.1
[M+K]+ 142.062878 129.6
[M+H-H2O]+ 86.096980 119.3
[M+HCOO]- 148.097921 143.6
[M+CH3COO]- 162.113571 168.0
[M+Na-2H]- 124.074386 128.4
[M]+ 103.09917142 120.2
[M]- 103.10026858 120.2
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