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

16
Patents

151.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 131.5
[M+Na]+ 174.052538 141.4
[M-H]- 150.056044 136.9
[M+NH4]+ 169.097143 149.1
[M+K]+ 190.026478 139.3
[M+H-H2O]+ 134.060580 126.1
[M+HCOO]- 196.061521 153.9
[M+CH3COO]- 210.077171 174.2
[M+Na-2H]- 172.037986 137.6
[M]+ 151.06277142 133.4
[M]- 151.06386858 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