CID 86010395

796963-34-3

Structural Information

Molecular Formula
C6H11N
SMILES
CC12CC(C1)(C2)N
InChI
InChI=1S/C6H11N/c1-5-2-6(7,3-5)4-5/h2-4,7H2,1H3
InChIKey
CMLXTYOTLRJVJX-UHFFFAOYSA-N
Compound name
3-methylbicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

97.08915 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 136.0
[M+Na]+ 120.07837 133.3
[M+NH4]+ 115.12297 136.9
[M+K]+ 136.05231 130.8
[M-H]- 96.081874 130.0
[M+Na-2H]- 118.06382 133.5
[M]+ 97.088601 131.4
[M]- 97.089699 131.4
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