CID 87919

3-dimethylamino-2,2-dimethyl-1-propanol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)(CN(C)C)CO
InChI
InChI=1S/C7H17NO/c1-7(2,6-9)5-8(3)4/h9H,5-6H2,1-4H3
InChIKey
PYEWZDAEJUUIJX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

764
Patents

131.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 130.7
[M+Na]+ 154.12023 136.9
[M-H]- 130.12373 131.2
[M+NH4]+ 149.16483 152.7
[M+K]+ 170.09417 137.7
[M+H-H2O]+ 114.12827 126.4
[M+HCOO]- 176.12921 152.9
[M+CH3COO]- 190.14486 178.2
[M+Na-2H]- 152.10568 136.8
[M]+ 131.13046 131.9
[M]- 131.13156 131.9
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