CID 3037945

Nsc 94104

Structural Information

Molecular Formula
C9H18N
SMILES
CC[N@@+]1(C[C@@H]2CC[C@H]1C2)C
InChI
InChI=1S/C9H18N/c1-3-10(2)7-8-4-5-9(10)6-8/h8-9H,3-7H2,1-2H3/q+1/t8-,9+,10-/m1/s1
InChIKey
DGFIOEIFPGCZQT-KXUCPTDWSA-N
Compound name
(1S,2R,4R)-2-ethyl-2-methyl-2-azoniabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.14392 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.15120 131.5
[M+Na]+ 163.13314 139.3
[M-H]- 139.13664 133.3
[M+NH4]+ 158.17774 159.1
[M+K]+ 179.10708 132.1
[M+H-H2O]+ 123.14118 129.7
[M+HCOO]- 185.14212 151.2
[M+CH3COO]- 199.15777 168.8
[M+Na-2H]- 161.11859 138.4
[M]+ 140.14337 128.7
[M]- 140.14447 128.7
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.