CID 50986357

3-[(2,2-dimethylpropyl)amino]propan-1-ol

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)(C)CNCCCO
InChI
InChI=1S/C8H19NO/c1-8(2,3)7-9-5-4-6-10/h9-10H,4-7H2,1-3H3
InChIKey
UYQWOMSXSLHMSJ-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

145.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.153946 136.1
[M+Na]+ 168.135888 141.8
[M-H]- 144.139394 134.9
[M+NH4]+ 163.180493 157.0
[M+K]+ 184.109828 140.9
[M+H-H2O]+ 128.143930 131.8
[M+HCOO]- 190.144871 157.5
[M+CH3COO]- 204.160521 177.0
[M+Na-2H]- 166.121336 142.4
[M]+ 145.14612142 136.3
[M]- 145.14721858 136.3
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