CID 492926

3,3,5,6,7-pentamethylbicyclo[3.2.1]oct-6-en-8-amine

Structural Information

Molecular Formula
C13H23N
SMILES
CC1=C(C2(CC(CC1C2N)(C)C)C)C
InChI
InChI=1S/C13H23N/c1-8-9(2)13(5)7-12(3,4)6-10(8)11(13)14/h10-11H,6-7,14H2,1-5H3
InChIKey
AESFVHICSSRNNQ-UHFFFAOYSA-N
Compound name
1,3,3,6,7-pentamethylbicyclo[3.2.1]oct-6-en-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.18304 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 143.8
[M+Na]+ 216.172258 153.2
[M-H]- 192.175764 147.1
[M+NH4]+ 211.216863 171.5
[M+K]+ 232.146198 149.8
[M+H-H2O]+ 176.180300 140.8
[M+HCOO]- 238.181241 163.4
[M+CH3COO]- 252.196891 191.1
[M+Na-2H]- 214.157706 147.8
[M]+ 193.18249142 142.7
[M]- 193.18358858 142.7
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.