CID 20781120

1-methyl-7-azabicyclo[2.2.1]heptane hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
CC12CCC(N1)CC2
InChI
InChI=1S/C7H13N/c1-7-4-2-6(8-7)3-5-7/h6,8H,2-5H2,1H3
InChIKey
AUZBWYMMZWGCIS-UHFFFAOYSA-N
Compound name
1-methyl-7-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 125.4
[M+Na]+ 134.09402 132.8
[M-H]- 110.09752 125.5
[M+NH4]+ 129.13862 153.1
[M+K]+ 150.06796 130.8
[M+H-H2O]+ 94.102060 120.9
[M+HCOO]- 156.10300 144.6
[M+CH3COO]- 170.11865 138.9
[M+Na-2H]- 132.07947 131.0
[M]+ 111.10425 121.3
[M]- 111.10535 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