CID 156323

45021-77-0

Structural Information

Molecular Formula
C9H19N2O
SMILES
C[N+](C)(C)CCCNC(=O)C=C
InChI
InChI=1S/C9H18N2O/c1-5-9(12)10-7-6-8-11(2,3)4/h5H,1,6-8H2,2-4H3/p+1
InChIKey
RUACIFFMSHZUKZ-UHFFFAOYSA-O
Compound name
trimethyl-[3-(prop-2-enoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

18888
Patents

171.14973 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.15701 137.0
[M+Na]+ 194.13895 142.6
[M-H]- 170.14245 138.9
[M+NH4]+ 189.18355 157.7
[M+K]+ 210.11289 136.9
[M+H-H2O]+ 154.14699 134.9
[M+HCOO]- 216.14793 161.1
[M+CH3COO]- 230.16358 182.1
[M+Na-2H]- 192.12440 145.5
[M]+ 171.14918 136.8
[M]- 171.15028 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe