CID 95388

5-diethylamino-2-pentanol

Structural Information

Molecular Formula
C9H21NO
SMILES
CCN(CC)CCCC(C)O
InChI
InChI=1S/C9H21NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-8H2,1-3H3
InChIKey
OAQYRNDEOJQVBN-UHFFFAOYSA-N
Compound name
5-(diethylamino)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

159.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16959 141.2
[M+Na]+ 182.15153 145.8
[M-H]- 158.15503 141.0
[M+NH4]+ 177.19613 161.9
[M+K]+ 198.12547 146.2
[M+H-H2O]+ 142.15957 135.8
[M+HCOO]- 204.16051 163.2
[M+CH3COO]- 218.17616 184.8
[M+Na-2H]- 180.13698 144.2
[M]+ 159.16176 142.9
[M]- 159.16286 142.9
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