CID 67024189

3-amino-4-cyclopropylbenzoicacid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC1C2=C(C=C(C=C2)C(=O)O)N
InChI
InChI=1S/C10H11NO2/c11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h3-6H,1-2,11H2,(H,12,13)
InChIKey
XMQUDBZCBYNMFN-UHFFFAOYSA-N
Compound name
3-amino-4-cyclopropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

177.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 132.8
[M+Na]+ 200.06820 142.2
[M-H]- 176.07170 139.2
[M+NH4]+ 195.11280 147.2
[M+K]+ 216.04214 138.5
[M+H-H2O]+ 160.07624 126.8
[M+HCOO]- 222.07718 156.1
[M+CH3COO]- 236.09283 184.2
[M+Na-2H]- 198.05365 137.5
[M]+ 177.07843 133.2
[M]- 177.07953 133.2
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