CID 300676

3-(n-phenylcarbamoyl)-5-norbornene-2-carboxylic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1C2C=CC1C(C2C(=O)NC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C15H15NO3/c17-14(16-11-4-2-1-3-5-11)12-9-6-7-10(8-9)13(12)15(18)19/h1-7,9-10,12-13H,8H2,(H,16,17)(H,18,19)
InChIKey
JSGFJQIPSAHMIO-UHFFFAOYSA-N
Compound name
3-(phenylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

257.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 158.3
[M+Na]+ 280.094418 164.2
[M-H]- 256.097924 163.4
[M+NH4]+ 275.139023 179.0
[M+K]+ 296.068358 160.8
[M+H-H2O]+ 240.102460 153.0
[M+HCOO]- 302.103401 179.1
[M+CH3COO]- 316.119051 194.9
[M+Na-2H]- 278.079866 159.3
[M]+ 257.10465142 157.1
[M]- 257.10574858 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe