CID 51000351

1300698-39-8

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CN1C[C@H](C[C@H]1C(=O)OC)N
InChI
InChI=1S/C7H14N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h5-6H,3-4,8H2,1-2H3/t5-,6-/m0/s1
InChIKey
WWDRZXVUQYMTLY-WDSKDSINSA-N
Compound name
methyl (2S,4S)-4-amino-1-methylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

158.10553 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 134.3
[M+Na]+ 181.094748 141.4
[M-H]- 157.098254 136.2
[M+NH4]+ 176.139353 155.4
[M+K]+ 197.068688 141.1
[M+H-H2O]+ 141.102790 128.4
[M+HCOO]- 203.103731 156.1
[M+CH3COO]- 217.119381 178.5
[M+Na-2H]- 179.080196 136.0
[M]+ 158.10498142 132.2
[M]- 158.10607858 132.2
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

patents stripe