CID 492928

(4s)-4-isopropyl-6,7-dimethyl-bicyclo[3.2.1]oct-6-en-8-amine

Structural Information

Molecular Formula
C13H23N
SMILES
CC1=C(C2[C@@H](CCC1C2N)C(C)C)C
InChI
InChI=1S/C13H23N/c1-7(2)10-5-6-11-8(3)9(4)12(10)13(11)14/h7,10-13H,5-6,14H2,1-4H3/t10-,11?,12?,13?/m0/s1
InChIKey
GJFRZHHZTIJQOJ-DCNVRKPOSA-N
Compound name
(2S)-6,7-dimethyl-2-propan-2-ylbicyclo[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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 148.1
[M+Na]+ 216.172258 155.1
[M-H]- 192.175764 150.7
[M+NH4]+ 211.216863 171.5
[M+K]+ 232.146198 152.1
[M+H-H2O]+ 176.180300 143.7
[M+HCOO]- 238.181241 166.6
[M+CH3COO]- 252.196891 192.8
[M+Na-2H]- 214.157706 148.2
[M]+ 193.18249142 145.7
[M]- 193.18358858 145.7
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.