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]+ 127.122976 120.1
[M+Na]+ 149.104918 126.1
[M-H]- 125.108424 123.1
[M+NH4]+ 144.149523 134.9
[M+K]+ 165.078858 126.9
[M+H-H2O]+ 109.112960 114.2
[M+HCOO]- 171.113901 138.2
[M+CH3COO]- 185.129551 131.8
[M+Na-2H]- 147.090366 126.6
[M]+ 126.11515142 113.6
[M]- 126.11624858 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.