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]+ 170.08118 143.2
[M+Na]+ 192.06312 149.9
[M-H]- 168.06662 149.5
[M+NH4]+ 187.10772 152.8
[M+K]+ 208.03706 149.1
[M+H-H2O]+ 152.07116 139.3
[M+HCOO]- 214.07210 162.0
[M+CH3COO]- 228.08775 190.6
[M+Na-2H]- 190.04857 146.7
[M]+ 169.07335 146.3
[M]- 169.07445 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