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]+ 178.08626 134.3
[M+Na]+ 200.06820 143.6
[M-H]- 176.07170 140.7
[M+NH4]+ 195.11280 150.3
[M+K]+ 216.04214 140.8
[M+H-H2O]+ 160.07624 129.3
[M+HCOO]- 222.07718 157.3
[M+CH3COO]- 236.09283 182.6
[M+Na-2H]- 198.05365 140.7
[M]+ 177.07843 134.7
[M]- 177.07953 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