CID 56577

Ammonium, (3-cyanopropyl)dimethylethyl-, iodide

Structural Information

Molecular Formula
C8H17N2
SMILES
CC[N+](C)(C)CCCC#N
InChI
InChI=1S/C8H17N2/c1-4-10(2,3)8-6-5-7-9/h4-6,8H2,1-3H3/q+1
InChIKey
HJKBESKUNSAYKR-UHFFFAOYSA-N
Compound name
3-cyanopropyl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.13918 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.14646 131.1
[M+Na]+ 164.12840 139.4
[M-H]- 140.13190 133.5
[M+NH4]+ 159.17300 151.3
[M+K]+ 180.10234 134.7
[M+H-H2O]+ 124.13644 122.7
[M+HCOO]- 186.13738 151.4
[M+CH3COO]- 200.15303 188.8
[M+Na-2H]- 162.11385 140.2
[M]+ 141.13863 127.1
[M]- 141.13973 127.1
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.