CID 853477

Methyl pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C6H11NO2
SMILES
COC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKey
BLWYXBNNBYXPPL-YFKPBYRVSA-N
Compound name
methyl (2S)-pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

8867
Patents

129.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.4
[M+Na]+ 152.06820 133.5
[M-H]- 128.07170 127.8
[M+NH4]+ 147.11280 148.9
[M+K]+ 168.04214 133.0
[M+H-H2O]+ 112.07624 121.7
[M+HCOO]- 174.07718 147.6
[M+CH3COO]- 188.09283 166.4
[M+Na-2H]- 150.05365 131.1
[M]+ 129.07843 124.1
[M]- 129.07953 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe