CID 492913

1-[(6r,7s)-6,7-dimethyl-8-bicyclo[3.2.1]octanyl]ethanamine

Structural Information

Molecular Formula
C12H23N
SMILES
C[C@@H]1[C@@H](C2CCCC1C2C(C)N)C
InChI
InChI=1S/C12H23N/c1-7-8(2)11-6-4-5-10(7)12(11)9(3)13/h7-12H,4-6,13H2,1-3H3/t7-,8+,9?,10?,11?,12?
InChIKey
NMEQYVYDXOUYFD-UNLJOLLSSA-N
Compound name
1-[(6R,7S)-6,7-dimethyl-8-bicyclo[3.2.1]octanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.19032 145.6
[M+Na]+ 204.17226 151.0
[M-H]- 180.17576 147.5
[M+NH4]+ 199.21686 169.1
[M+K]+ 220.14620 148.5
[M+H-H2O]+ 164.18030 141.0
[M+HCOO]- 226.18124 163.0
[M+CH3COO]- 240.19689 188.9
[M+Na-2H]- 202.15771 145.9
[M]+ 181.18249 140.9
[M]- 181.18359 140.9
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.