CID 3022462

Ns00062476

Structural Information

Molecular Formula
C11H21NO2
SMILES
CCC(CC)NCC(C)OC(=O)C=C
InChI
InChI=1S/C11H21NO2/c1-5-10(6-2)12-8-9(4)14-11(13)7-3/h7,9-10,12H,3,5-6,8H2,1-2,4H3
InChIKey
IRODIBJWQFAWFT-UHFFFAOYSA-N
Compound name
1-(pentan-3-ylamino)propan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 150.6
[M+Na]+ 222.146448 154.9
[M-H]- 198.149954 150.3
[M+NH4]+ 217.191053 169.6
[M+K]+ 238.120388 154.4
[M+H-H2O]+ 182.154490 145.0
[M+HCOO]- 244.155431 171.7
[M+CH3COO]- 258.171081 191.1
[M+Na-2H]- 220.131896 151.4
[M]+ 199.15668142 152.4
[M]- 199.15777858 152.4
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.