CID 137952174

2219353-85-0

Structural Information

Molecular Formula
C11H21N
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CCN)C
InChI
InChI=1S/C11H21N/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10H,3-7,12H2,1-2H3/t8-,9-,10-/m0/s1
InChIKey
ONMBSORDKJUHMW-GUBZILKMSA-N
Compound name
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 137.5
[M+Na]+ 190.15662 142.6
[M+NH4]+ 185.20122 145.8
[M+K]+ 206.13056 135.6
[M-H]- 166.16012 134.6
[M+Na-2H]- 188.14207 135.4
[M]+ 167.16685 136.3
[M]- 167.16795 136.3
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.