CID 82735

10575-25-4

Structural Information

Molecular Formula
C8H15NO
SMILES
CCN(CC)CC#CCO
InChI
InChI=1S/C8H15NO/c1-3-9(4-2)7-5-6-8-10/h10H,3-4,7-8H2,1-2H3
InChIKey
ACGZBRWTWOZSFU-UHFFFAOYSA-N
Compound name
4-(diethylamino)but-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

434
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.3
[M+Na]+ 164.10459 139.2
[M-H]- 140.10809 130.8
[M+NH4]+ 159.14919 150.5
[M+K]+ 180.07853 138.3
[M+H-H2O]+ 124.11263 120.4
[M+HCOO]- 186.11357 149.2
[M+CH3COO]- 200.12922 186.3
[M+Na-2H]- 162.09004 135.8
[M]+ 141.11482 127.2
[M]- 141.11592 127.2
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

No patent data available for this compound.