CID 4301998

3-(cyclohexylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Structural Information

Molecular Formula
C15H21NO3
SMILES
C1CCC(CC1)NC(=O)C2C3CC(C2C(=O)O)C=C3
InChI
InChI=1S/C15H21NO3/c17-14(16-11-4-2-1-3-5-11)12-9-6-7-10(8-9)13(12)15(18)19/h6-7,9-13H,1-5,8H2,(H,16,17)(H,18,19)
InChIKey
GZFZHAGZCXCMND-UHFFFAOYSA-N
Compound name
3-(cyclohexylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 162.0
[M+Na]+ 286.14135 167.6
[M+NH4]+ 281.18595 169.5
[M+K]+ 302.11529 166.9
[M-H]- 262.14485 162.8
[M+Na-2H]- 284.12680 161.9
[M]+ 263.15158 162.3
[M]- 263.15268 162.3
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