CID 12452686

4-amino-2-pentanol

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(CC(C)O)N
InChI
InChI=1S/C5H13NO/c1-4(6)3-5(2)7/h4-5,7H,3,6H2,1-2H3
InChIKey
RTFVYTOTESLFBG-UHFFFAOYSA-N
Compound name
4-aminopentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

273
Patents

103.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 123.8
[M+Na]+ 126.08894 129.7
[M-H]- 102.09244 122.4
[M+NH4]+ 121.13354 145.7
[M+K]+ 142.06288 129.8
[M+H-H2O]+ 86.096980 119.4
[M+HCOO]- 148.09792 145.0
[M+CH3COO]- 162.11357 169.3
[M+Na-2H]- 124.07439 127.3
[M]+ 103.09917 121.0
[M]- 103.10027 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe