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]+ 200.20090 153.4
[M+Na]+ 222.18284 157.1
[M-H]- 198.18634 152.7
[M+NH4]+ 217.22744 172.4
[M+K]+ 238.15678 156.0
[M+H-H2O]+ 182.19088 147.5
[M+HCOO]- 244.19182 174.7
[M+CH3COO]- 258.20747 192.9
[M+Na-2H]- 220.16829 154.9
[M]+ 199.19307 155.6
[M]- 199.19417 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.