CID 44153809

85223-26-3

Structural Information

Molecular Formula
C16H23N
SMILES
CC1(C2CCC1(C(C2)CC3=CC=CC=N3)C)C
InChI
InChI=1S/C16H23N/c1-15(2)12-7-8-16(15,3)13(10-12)11-14-6-4-5-9-17-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKey
XNJSUSZCIUSQHU-UHFFFAOYSA-N
Compound name
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 155.9
[M+Na]+ 252.172258 164.3
[M-H]- 228.175764 160.9
[M+NH4]+ 247.216863 182.0
[M+K]+ 268.146198 159.9
[M+H-H2O]+ 212.180300 149.8
[M+HCOO]- 274.181241 175.3
[M+CH3COO]- 288.196891 168.6
[M+Na-2H]- 250.157706 159.0
[M]+ 229.18249142 155.6
[M]- 229.18358858 155.6
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.