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]+ 215.248176 132.9
[M+Na]+ 237.230118 140.0
[M-H]- 213.233624 140.3
[M+NH4]+ 232.274723 148.3
[M+K]+ 253.204058 129.0
[M+H-H2O]+ 197.238160 132.9
[M+HCOO]- 259.239101 156.0
[M+CH3COO]- 273.254751 194.5
[M+Na-2H]- 235.215566 145.4
[M]+ 214.24035142 135.7
[M]- 214.24144858 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.