CID 3301471

1-dibutylamino-3-buten-2-ol

Structural Information

Molecular Formula
C12H25NO
SMILES
CCCCN(CCCC)CC(C=C)O
InChI
InChI=1S/C12H25NO/c1-4-7-9-13(10-8-5-2)11-12(14)6-3/h6,12,14H,3-5,7-11H2,1-2H3
InChIKey
MBESFWFEAFNCAI-UHFFFAOYSA-N
Compound name
1-(dibutylamino)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19362 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 153.4
[M+Na]+ 222.182838 157.1
[M-H]- 198.186344 152.7
[M+NH4]+ 217.227443 172.4
[M+K]+ 238.156778 156.0
[M+H-H2O]+ 182.190880 147.5
[M+HCOO]- 244.191821 174.7
[M+CH3COO]- 258.207471 192.9
[M+Na-2H]- 220.168286 154.9
[M]+ 199.19307142 155.6
[M]- 199.19416858 155.6
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.