CID 3018071

Ns00063855

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCC(CC)NCC(C)OC(=O)C(=C)C
InChI
InChI=1S/C12H23NO2/c1-6-11(7-2)13-8-10(5)15-12(14)9(3)4/h10-11,13H,3,6-8H2,1-2,4-5H3
InChIKey
PLGDEEOFVQFODA-UHFFFAOYSA-N
Compound name
1-(pentan-3-ylamino)propan-2-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 155.4
[M+Na]+ 236.162098 159.0
[M-H]- 212.165604 154.9
[M+NH4]+ 231.206703 173.7
[M+K]+ 252.136038 158.8
[M+H-H2O]+ 196.170140 149.7
[M+HCOO]- 258.171081 175.1
[M+CH3COO]- 272.186731 195.0
[M+Na-2H]- 234.147546 154.4
[M]+ 213.17233142 156.9
[M]- 213.17342858 156.9
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.