CID 6454694

Einecs 264-411-9

Structural Information

Molecular Formula
C9H17N
SMILES
CC1([C@H]2CC[C@@H]([C@@H]1C2)N)C
InChI
InChI=1S/C9H17N/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8H,3-5,10H2,1-2H3/t6-,7-,8-/m0/s1
InChIKey
VFQYFRUGGATHGJ-FXQIFTODSA-N
Compound name
(1R,2S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.1361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 142.5
[M+Na]+ 162.125318 148.0
[M-H]- 138.128824 141.6
[M+NH4]+ 157.169923 163.7
[M+K]+ 178.099258 148.9
[M+H-H2O]+ 122.133360 134.4
[M+HCOO]- 184.134301 156.3
[M+CH3COO]- 198.149951 185.9
[M+Na-2H]- 160.110766 151.3
[M]+ 139.13555142 151.0
[M]- 139.13664858 151.0
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.