CID 65452699

1-(1h-pyrrol-1-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC1(C(=O)O)N2C=CC=C2
InChI
InChI=1S/C8H9NO2/c10-7(11)8(3-4-8)9-5-1-2-6-9/h1-2,5-6H,3-4H2,(H,10,11)
InChIKey
WVRDHVSRQSDOOW-UHFFFAOYSA-N
Compound name
1-pyrrol-1-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

151.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 131.5
[M+Na]+ 174.05254 141.4
[M-H]- 150.05604 136.9
[M+NH4]+ 169.09714 149.1
[M+K]+ 190.02648 139.3
[M+H-H2O]+ 134.06058 126.1
[M+HCOO]- 196.06152 153.9
[M+CH3COO]- 210.07717 174.2
[M+Na-2H]- 172.03799 137.6
[M]+ 151.06277 133.4
[M]- 151.06387 133.4
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