CID 16794869

954581-24-9

Structural Information

Molecular Formula
C14H17BrN2O3
SMILES
C1CCC(C1)(C(=O)O)NC(=O)NCC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H17BrN2O3/c15-11-5-3-4-10(8-11)9-16-13(20)17-14(12(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,18,19)(H2,16,17,20)
InChIKey
SZPRVIXVJJYTMS-UHFFFAOYSA-N
Compound name
1-[(3-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.04224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04952 171.1
[M+Na]+ 363.03146 177.9
[M-H]- 339.03496 178.1
[M+NH4]+ 358.07606 189.9
[M+K]+ 379.00540 166.4
[M+H-H2O]+ 323.03950 169.9
[M+HCOO]- 385.04044 190.2
[M+CH3COO]- 399.05609 204.7
[M+Na-2H]- 361.01691 174.2
[M]+ 340.04169 185.7
[M]- 340.04279 185.7
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

No patent data available for this compound.