CID 66662378

1-(4-aminophenyl)cyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC1(C2=CC=C(C=C2)N)C(=O)O
InChI
InChI=1S/C10H11NO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6,11H2,(H,12,13)
InChIKey
UFJWQISICOUZEE-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 134.3
[M+Na]+ 200.068198 143.6
[M-H]- 176.071704 140.7
[M+NH4]+ 195.112803 150.3
[M+K]+ 216.042138 140.8
[M+H-H2O]+ 160.076240 129.3
[M+HCOO]- 222.077181 157.3
[M+CH3COO]- 236.092831 182.6
[M+Na-2H]- 198.053646 140.7
[M]+ 177.07843142 134.7
[M]- 177.07952858 134.7
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