CID 447260

(1r,4s)-2-azabornane

Structural Information

Molecular Formula
C9H17N
SMILES
C[C@@]12CC[C@@H](C1(C)C)CN2
InChI
InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKey
OLTRGBMOWPXXIG-VXNVDRBHSA-N
Compound name
(1R,4S)-1,7,7-trimethyl-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

139.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 132.7
[M+Na]+ 162.12532 141.3
[M-H]- 138.12882 133.3
[M+NH4]+ 157.16992 161.7
[M+K]+ 178.09926 138.6
[M+H-H2O]+ 122.13336 129.0
[M+HCOO]- 184.13430 151.3
[M+CH3COO]- 198.14995 146.2
[M+Na-2H]- 160.11077 137.9
[M]+ 139.13555 130.1
[M]- 139.13665 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe