CID 137964030

(1r,5s)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl chloride

Structural Information

Molecular Formula
C11H18ClNO
SMILES
C[C@@]12CC[C@@H](C1(C)C)CN(C2)C(=O)Cl
InChI
InChI=1S/C11H18ClNO/c1-10(2)8-4-5-11(10,3)7-13(6-8)9(12)14/h8H,4-7H2,1-3H3/t8-,11+/m1/s1
InChIKey
YEIPAWWJQRNODI-KCJUWKMLSA-N
Compound name
(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11498 147.5
[M+Na]+ 238.09692 156.4
[M-H]- 214.10042 149.0
[M+NH4]+ 233.14152 173.4
[M+K]+ 254.07086 152.6
[M+H-H2O]+ 198.10496 143.9
[M+HCOO]- 260.10590 159.6
[M+CH3COO]- 274.12155 186.8
[M+Na-2H]- 236.08237 151.5
[M]+ 215.10715 147.5
[M]- 215.10825 147.5
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

No patent data available for this compound.