CID 3052857

5-exo-butyl-2-norbornene-5-endo-carboxamide

Structural Information

Molecular Formula
C12H19NO
SMILES
CCCCC1(CC2CC1C=C2)C(=O)N
InChI
InChI=1S/C12H19NO/c1-2-3-6-12(11(13)14)8-9-4-5-10(12)7-9/h4-5,9-10H,2-3,6-8H2,1H3,(H2,13,14)
InChIKey
KPBLDAHKHFNSCN-UHFFFAOYSA-N
Compound name
2-butylbicyclo[2.2.1]hept-5-ene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 147.6
[M+Na]+ 216.13589 154.2
[M-H]- 192.13939 149.9
[M+NH4]+ 211.18049 173.7
[M+K]+ 232.10983 151.4
[M+H-H2O]+ 176.14393 143.4
[M+HCOO]- 238.14487 169.1
[M+CH3COO]- 252.16052 186.9
[M+Na-2H]- 214.12134 150.1
[M]+ 193.14612 146.8
[M]- 193.14722 146.8
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.