CID 940765

(2s,3r)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)pentanoate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)N1CCCC1
InChI
InChI=1S/C12H22N2O3/c1-4-9(2)10(11(15)17-3)13-12(16)14-7-5-6-8-14/h9-10H,4-8H2,1-3H3,(H,13,16)/t9-,10+/m1/s1
InChIKey
HYPMZNNOHDVJTD-ZJUUUORDSA-N
Compound name
methyl (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 160.6
[M+Na]+ 265.152258 163.3
[M-H]- 241.155764 161.7
[M+NH4]+ 260.196863 177.7
[M+K]+ 281.126198 163.5
[M+H-H2O]+ 225.160300 153.4
[M+HCOO]- 287.161241 178.8
[M+CH3COO]- 301.176891 194.5
[M+Na-2H]- 263.137706 158.5
[M]+ 242.16249142 159.3
[M]- 242.16358858 159.3
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.