CID 117326

3-amino-2,2-dimethyl-1-propanol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5043
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 121.1
[M+Na]+ 126.08894 130.0
[M+NH4]+ 121.13354 128.9
[M+K]+ 142.06288 126.0
[M-H]- 102.09244 120.2
[M+Na-2H]- 124.07439 124.6
[M]+ 103.09917 121.8
[M]- 103.10027 121.8
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