CID 199266

Butyn-1-ol, 4-(dimethylamino)-, acetate

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(=O)OCC#CCN(C)C
InChI
InChI=1S/C8H13NO2/c1-8(10)11-7-5-4-6-9(2)3/h6-7H2,1-3H3
InChIKey
FLTGRCAASOHPRA-UHFFFAOYSA-N
Compound name
4-(dimethylamino)but-2-ynyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.1
[M+Na]+ 178.08386 141.4
[M-H]- 154.08736 133.9
[M+NH4]+ 173.12846 152.3
[M+K]+ 194.05780 141.6
[M+H-H2O]+ 138.09190 121.8
[M+HCOO]- 200.09284 151.8
[M+CH3COO]- 214.10849 189.8
[M+Na-2H]- 176.06931 136.9
[M]+ 155.09409 130.7
[M]- 155.09519 130.7
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