CID 47003622

3-methyl-3-azabicyclo[3.1.1]heptan-6-amine

Structural Information

Molecular Formula
C7H14N2
SMILES
CN1CC2CC(C1)C2N
InChI
InChI=1S/C7H14N2/c1-9-3-5-2-6(4-9)7(5)8/h5-7H,2-4,8H2,1H3
InChIKey
VBRGCOXFBWLERV-UHFFFAOYSA-N
Compound name
3-methyl-3-azabicyclo[3.1.1]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

126.1157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 135.1
[M+Na]+ 149.104918 140.4
[M-H]- 125.108424 132.7
[M+NH4]+ 144.149523 153.5
[M+K]+ 165.078858 142.2
[M+H-H2O]+ 109.112960 125.8
[M+HCOO]- 171.113901 148.5
[M+CH3COO]- 185.129551 146.2
[M+Na-2H]- 147.090366 144.4
[M]+ 126.11515142 143.3
[M]- 126.11624858 143.3
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

patents stripe