CID 226833

2-amino-4-methylpentan-3-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)C(C(C)N)O
InChI
InChI=1S/C6H15NO/c1-4(2)6(8)5(3)7/h4-6,8H,7H2,1-3H3
InChIKey
QLKNFSOWJQLKLV-UHFFFAOYSA-N
Compound name
2-amino-4-methylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 128.8
[M+Na]+ 140.10458 134.0
[M-H]- 116.10809 127.3
[M+NH4]+ 135.14919 150.0
[M+K]+ 156.07852 134.3
[M+H-H2O]+ 100.11262 124.3
[M+HCOO]- 162.11356 148.6
[M+CH3COO]- 176.12922 173.3
[M+Na-2H]- 138.09003 130.4
[M]+ 117.11482 125.7
[M]- 117.11591 125.7
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