CID 84647657

N-methylbicyclo[3.1.0]hexan-3-amine

Structural Information

Molecular Formula
C7H13N
SMILES
CNC1CC2CC2C1
InChI
InChI=1S/C7H13N/c1-8-7-3-5-2-6(5)4-7/h5-8H,2-4H2,1H3
InChIKey
CEZIHBBMICNRJI-UHFFFAOYSA-N
Compound name
N-methylbicyclo[3.1.0]hexan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

111.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 121.0
[M+Na]+ 134.09402 130.3
[M-H]- 110.09752 126.4
[M+NH4]+ 129.13862 141.6
[M+K]+ 150.06796 127.7
[M+H-H2O]+ 94.102060 115.9
[M+HCOO]- 156.10300 144.7
[M+CH3COO]- 170.11865 175.8
[M+Na-2H]- 132.07947 127.8
[M]+ 111.10425 121.5
[M]- 111.10535 121.5
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