CID 4301998

126809-49-2

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

10
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 162.5
[M+Na]+ 286.14135 165.3
[M-H]- 262.14485 166.2
[M+NH4]+ 281.18595 182.7
[M+K]+ 302.11529 162.4
[M+H-H2O]+ 246.14939 157.3
[M+HCOO]- 308.15033 178.8
[M+CH3COO]- 322.16598 196.1
[M+Na-2H]- 284.12680 160.7
[M]+ 263.15158 156.9
[M]- 263.15268 156.9
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