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

21
Patents

126.1157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 135.1
[M+Na]+ 149.10492 140.4
[M-H]- 125.10842 132.7
[M+NH4]+ 144.14952 153.5
[M+K]+ 165.07886 142.2
[M+H-H2O]+ 109.11296 125.8
[M+HCOO]- 171.11390 148.5
[M+CH3COO]- 185.12955 146.2
[M+Na-2H]- 147.09037 144.4
[M]+ 126.11515 143.3
[M]- 126.11625 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