CID 53621937

5-amino-4-methylpentan-2-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(CC(C)O)CN
InChI
InChI=1S/C6H15NO/c1-5(4-7)3-6(2)8/h5-6,8H,3-4,7H2,1-2H3
InChIKey
BSJILSAQCDSDCN-UHFFFAOYSA-N
Compound name
5-amino-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

117.115364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.4
[M+Na]+ 140.10458 134.7
[M+NH4]+ 135.14919 133.9
[M+K]+ 156.07852 130.8
[M-H]- 116.10809 125.6
[M+Na-2H]- 138.09003 128.9
[M]+ 117.11482 127.0
[M]- 117.11591 127.0
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