CID 96637829

2138565-42-9

Structural Information

Molecular Formula
C7H14N2
SMILES
C1CCN[C@@H]2[C@H](C1)[C@@H]2N
InChI
InChI=1S/C7H14N2/c8-6-5-3-1-2-4-9-7(5)6/h5-7,9H,1-4,8H2/t5-,6+,7-/m1/s1
InChIKey
AHQJMIFBSXTFKT-DSYKOEDSSA-N
Compound name
(1R,7R,8S)-2-azabicyclo[5.1.0]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.1157 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 120.1
[M+Na]+ 149.10492 126.1
[M-H]- 125.10842 123.1
[M+NH4]+ 144.14952 134.9
[M+K]+ 165.07886 126.9
[M+H-H2O]+ 109.11296 114.2
[M+HCOO]- 171.11390 138.2
[M+CH3COO]- 185.12955 131.8
[M+Na-2H]- 147.09037 126.6
[M]+ 126.11515 113.6
[M]- 126.11625 113.6
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.