CID 24860556

1041429-45-1

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC2=C(C1)NC(=C2)C(=O)O
InChI
InChI=1S/C8H9NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h4,9H,1-3H2,(H,10,11)
InChIKey
BSRVSYHHHOIGSO-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 131.5
[M+Na]+ 174.05254 139.5
[M-H]- 150.05604 132.4
[M+NH4]+ 169.09714 154.5
[M+K]+ 190.02648 136.9
[M+H-H2O]+ 134.06058 126.6
[M+HCOO]- 196.06152 151.7
[M+CH3COO]- 210.07717 169.1
[M+Na-2H]- 172.03799 134.5
[M]+ 151.06277 128.6
[M]- 151.06387 128.6
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

patents stripe