CID 20384478

3-amino-2,2,4-trimethylpentan-1-ol

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)C(C(C)(C)CO)N
InChI
InChI=1S/C8H19NO/c1-6(2)7(9)8(3,4)5-10/h6-7,10H,5,9H2,1-4H3
InChIKey
PRZVUDNDZMVZFC-UHFFFAOYSA-N
Compound name
3-amino-2,2,4-trimethylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 136.6
[M+Na]+ 168.135888 141.7
[M-H]- 144.139394 135.0
[M+NH4]+ 163.180493 157.0
[M+K]+ 184.109828 141.4
[M+H-H2O]+ 128.143930 132.4
[M+HCOO]- 190.144871 155.3
[M+CH3COO]- 204.160521 178.7
[M+Na-2H]- 166.121336 139.2
[M]+ 145.14612142 134.4
[M]- 145.14721858 134.4
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