CID 58126

Brn 3125405

Structural Information

Molecular Formula
C14H27N
SMILES
CCCCNC1(C2CCC(C2)C1(C)C)C
InChI
InChI=1S/C14H27N/c1-5-6-9-15-14(4)12-8-7-11(10-12)13(14,2)3/h11-12,15H,5-10H2,1-4H3
InChIKey
YETIEFAHKKAEOY-UHFFFAOYSA-N
Compound name
N-butyl-2,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.21436 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.221636 152.4
[M+Na]+ 232.203578 159.2
[M-H]- 208.207084 155.0
[M+NH4]+ 227.248183 180.5
[M+K]+ 248.177518 155.8
[M+H-H2O]+ 192.211620 148.8
[M+HCOO]- 254.212561 172.9
[M+CH3COO]- 268.228211 192.9
[M+Na-2H]- 230.189026 155.6
[M]+ 209.21381142 152.4
[M]- 209.21490858 152.4
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.