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]+ 264.141676 163.6
[M+Na]+ 286.123618 171.8
[M-H]- 262.127124 170.3
[M+NH4]+ 281.168223 191.6
[M+K]+ 302.097558 168.6
[M+H-H2O]+ 246.131660 160.8
[M+HCOO]- 308.132601 180.7
[M+CH3COO]- 322.148251 176.3
[M+Na-2H]- 284.109066 163.2
[M]+ 263.13385142 166.0
[M]- 263.13494858 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.