CID 79421229

2241141-41-1

Structural Information

Molecular Formula
C8H11NO2
SMILES
C#CCC1(CCNC1)C(=O)O
InChI
InChI=1S/C8H11NO2/c1-2-3-8(7(10)11)4-5-9-6-8/h1,9H,3-6H2,(H,10,11)
InChIKey
IFSHDLOJLDLZQD-UHFFFAOYSA-N
Compound name
3-prop-2-ynylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 135.1
[M+Na]+ 176.06820 143.8
[M-H]- 152.07170 133.3
[M+NH4]+ 171.11280 154.4
[M+K]+ 192.04214 139.5
[M+H-H2O]+ 136.07624 124.0
[M+HCOO]- 198.07718 148.0
[M+CH3COO]- 212.09283 177.9
[M+Na-2H]- 174.05365 137.8
[M]+ 153.07843 125.6
[M]- 153.07953 125.6
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.