CID 97502

2-(pentylamino)ethanol

Structural Information

Molecular Formula
C7H17NO
SMILES
CCCCCNCCO
InChI
InChI=1S/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3
InChIKey
SALYKAIZVOFAEJ-UHFFFAOYSA-N
Compound name
2-(pentylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1195
Patents

131.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 131.1
[M+Na]+ 154.12023 136.5
[M-H]- 130.12373 129.6
[M+NH4]+ 149.16483 152.3
[M+K]+ 170.09417 135.6
[M+H-H2O]+ 114.12827 126.2
[M+HCOO]- 176.12921 154.3
[M+CH3COO]- 190.14486 174.3
[M+Na-2H]- 152.10568 137.3
[M]+ 131.13046 131.4
[M]- 131.13156 131.4
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