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]+ 194.19032 148.1
[M+Na]+ 216.17226 155.1
[M-H]- 192.17576 150.7
[M+NH4]+ 211.21686 171.5
[M+K]+ 232.14620 152.1
[M+H-H2O]+ 176.18030 143.7
[M+HCOO]- 238.18124 166.6
[M+CH3COO]- 252.19689 192.8
[M+Na-2H]- 214.15771 148.2
[M]+ 193.18249 145.7
[M]- 193.18359 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.