CID 48312

66902-82-7

Structural Information

Molecular Formula
C13H30N2
SMILES
C[N+](C)(C)CC[C@@H]1C[C@H]1CC[N+](C)(C)C
InChI
InChI=1S/C13H30N2/c1-14(2,3)9-7-12-11-13(12)8-10-15(4,5)6/h12-13H,7-11H2,1-6H3/q+2/t12-,13-/m1/s1
InChIKey
SUTWWSJZRXUQRN-CHWSQXEVSA-N
Compound name
trimethyl-[2-[(1S,2S)-2-[2-(trimethylazaniumyl)ethyl]cyclopropyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.2409 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.24818 132.9
[M+Na]+ 237.23012 140.0
[M-H]- 213.23362 140.3
[M+NH4]+ 232.27472 148.3
[M+K]+ 253.20406 129.0
[M+H-H2O]+ 197.23816 132.9
[M+HCOO]- 259.23910 156.0
[M+CH3COO]- 273.25475 194.5
[M+Na-2H]- 235.21557 145.4
[M]+ 214.24035 135.7
[M]- 214.24145 135.7
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.