CID 46749

64048-20-0

Structural Information

Molecular Formula
C10H22NO
SMILES
CCCCO[C@H]1C[C@@H]1[N+](C)(C)C
InChI
InChI=1S/C10H22NO/c1-5-6-7-12-10-8-9(10)11(2,3)4/h9-10H,5-8H2,1-4H3/q+1/t9-,10-/m0/s1
InChIKey
VPKQQFOBBIDQGO-UWVGGRQHSA-N
Compound name
[(1S,2S)-2-butoxycyclopropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.17014 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.17742 131.7
[M+Na]+ 195.15936 140.2
[M-H]- 171.16286 138.0
[M+NH4]+ 190.20396 148.4
[M+K]+ 211.13330 134.1
[M+H-H2O]+ 155.16740 129.0
[M+HCOO]- 217.16834 155.6
[M+CH3COO]- 231.18399 185.4
[M+Na-2H]- 193.14481 141.1
[M]+ 172.16959 136.2
[M]- 172.17069 136.2
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.