CID 9793714

5-aminopentan-2-ol

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(CCCN)O
InChI
InChI=1S/C5H13NO/c1-5(7)3-2-4-6/h5,7H,2-4,6H2,1H3
InChIKey
VJGRDSFPHUTBBE-UHFFFAOYSA-N
Compound name
5-aminopentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2147
Patents

103.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 123.2
[M+Na]+ 126.08894 129.3
[M-H]- 102.09244 121.7
[M+NH4]+ 121.13354 145.2
[M+K]+ 142.06288 128.9
[M+H-H2O]+ 86.096980 118.8
[M+HCOO]- 148.09792 145.4
[M+CH3COO]- 162.11357 168.4
[M+Na-2H]- 124.07439 128.1
[M]+ 103.09917 121.1
[M]- 103.10027 121.1
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