CID 79886379

2-azabicyclo[2.2.1]heptane-2-carbonyl chloride

Structural Information

Molecular Formula
C7H10ClNO
SMILES
C1CC2CC1CN2C(=O)Cl
InChI
InChI=1S/C7H10ClNO/c8-7(10)9-4-5-1-2-6(9)3-5/h5-6H,1-4H2
InChIKey
KHKKPWUKQGUPKA-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.1]heptane-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05237 135.6
[M+Na]+ 182.03431 144.1
[M-H]- 158.03781 137.0
[M+NH4]+ 177.07891 161.0
[M+K]+ 198.00825 141.3
[M+H-H2O]+ 142.04235 131.2
[M+HCOO]- 204.04329 150.9
[M+CH3COO]- 218.05894 174.5
[M+Na-2H]- 180.01976 138.1
[M]+ 159.04454 135.2
[M]- 159.04564 135.2
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

No patent data available for this compound.