CID 3022634

Ns00063854

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCC(CC)NC(C)(C)OC(=O)C(=C)C
InChI
InChI=1S/C12H23NO2/c1-7-10(8-2)13-12(5,6)15-11(14)9(3)4/h10,13H,3,7-8H2,1-2,4-6H3
InChIKey
UCDSPKIJPFENBE-UHFFFAOYSA-N
Compound name
2-(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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 153.6
[M+Na]+ 236.162098 157.9
[M-H]- 212.165604 153.4
[M+NH4]+ 231.206703 172.1
[M+K]+ 252.136038 157.7
[M+H-H2O]+ 196.170140 148.5
[M+HCOO]- 258.171081 172.8
[M+CH3COO]- 272.186731 194.4
[M+Na-2H]- 234.147546 154.8
[M]+ 213.17233142 155.3
[M]- 213.17342858 155.3
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.