CID 212647

Endo-(+-)-n-2-bornyl-2-thiophenecarboxamide

Structural Information

Molecular Formula
C15H21NOS
SMILES
CC1(C2CCC1(C(C2)NC(=O)C3=CC=CS3)C)C
InChI
InChI=1S/C15H21NOS/c1-14(2)10-6-7-15(14,3)12(9-10)16-13(17)11-5-4-8-18-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,17)
InChIKey
BNOSAPPKVNAYEH-UHFFFAOYSA-N
Compound name
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14168 163.6
[M+Na]+ 286.12362 171.8
[M-H]- 262.12712 170.3
[M+NH4]+ 281.16822 191.6
[M+K]+ 302.09756 168.6
[M+H-H2O]+ 246.13166 160.8
[M+HCOO]- 308.13260 180.7
[M+CH3COO]- 322.14825 176.3
[M+Na-2H]- 284.10907 163.2
[M]+ 263.13385 166.0
[M]- 263.13495 166.0
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.