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

436
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.3
[M+Na]+ 164.104588 139.2
[M-H]- 140.108094 130.8
[M+NH4]+ 159.149193 150.5
[M+K]+ 180.078528 138.3
[M+H-H2O]+ 124.112630 120.4
[M+HCOO]- 186.113571 149.2
[M+CH3COO]- 200.129221 186.3
[M+Na-2H]- 162.090036 135.8
[M]+ 141.11482142 127.2
[M]- 141.11591858 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

literature stripe

Patent stripe

patents stripe