CID 47002830

1-(cyclopropylcarbamoyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC1NC(=O)C2(CC2)C(=O)O
InChI
InChI=1S/C8H11NO3/c10-6(9-5-1-2-5)8(3-4-8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKey
YHWXSEYUKVMGHZ-UHFFFAOYSA-N
Compound name
1-(cyclopropylcarbamoyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 143.2
[M+Na]+ 192.063118 149.9
[M-H]- 168.066624 149.5
[M+NH4]+ 187.107723 152.8
[M+K]+ 208.037058 149.1
[M+H-H2O]+ 152.071160 139.3
[M+HCOO]- 214.072101 162.0
[M+CH3COO]- 228.087751 190.6
[M+Na-2H]- 190.048566 146.7
[M]+ 169.07335142 146.3
[M]- 169.07444858 146.3
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