CID 66970177

1-methyl-2-azabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C7H13N
SMILES
CC12CCC(C1)CN2
InChI
InChI=1S/C7H13N/c1-7-3-2-6(4-7)5-8-7/h6,8H,2-5H2,1H3
InChIKey
VKOSSFJBYDTLEC-UHFFFAOYSA-N
Compound name
1-methyl-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

111.1048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 125.4
[M+Na]+ 134.094018 132.8
[M-H]- 110.097524 125.5
[M+NH4]+ 129.138623 153.1
[M+K]+ 150.067958 130.8
[M+H-H2O]+ 94.102060 120.9
[M+HCOO]- 156.103001 144.6
[M+CH3COO]- 170.118651 138.9
[M+Na-2H]- 132.079466 131.0
[M]+ 111.10425142 121.3
[M]- 111.10534858 121.3
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