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

16
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 131.5
[M+Na]+ 174.052538 139.5
[M-H]- 150.056044 132.4
[M+NH4]+ 169.097143 154.5
[M+K]+ 190.026478 136.9
[M+H-H2O]+ 134.060580 126.6
[M+HCOO]- 196.061521 151.7
[M+CH3COO]- 210.077171 169.1
[M+Na-2H]- 172.037986 134.5
[M]+ 151.06277142 128.6
[M]- 151.06386858 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