CID 75634

5-amino-1-pentanol

Structural Information

Molecular Formula
C5H13NO
SMILES
C(CCN)CCO
InChI
InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2
InChIKey
LQGKDMHENBFVRC-UHFFFAOYSA-N
Compound name
5-aminopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

15734
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 122.3
[M+Na]+ 126.08894 128.7
[M-H]- 102.09244 120.7
[M+NH4]+ 121.13354 144.4
[M+K]+ 142.06288 127.8
[M+H-H2O]+ 86.096980 117.9
[M+HCOO]- 148.09792 145.5
[M+CH3COO]- 162.11357 167.5
[M+Na-2H]- 124.07439 128.5
[M]+ 103.09917 120.9
[M]- 103.10027 120.9
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