CID 19401

Tetramin

Structural Information

Molecular Formula
C6H11NO
SMILES
C=CC(CN1CC1)O
InChI
InChI=1S/C6H11NO/c1-2-6(8)5-7-3-4-7/h2,6,8H,1,3-5H2
InChIKey
MJVIZWIQHKRBPI-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 126.3
[M+Na]+ 136.073278 135.3
[M-H]- 112.076784 128.3
[M+NH4]+ 131.117883 142.3
[M+K]+ 152.047218 132.8
[M+H-H2O]+ 96.081320 120.2
[M+HCOO]- 158.082261 147.4
[M+CH3COO]- 172.097911 171.3
[M+Na-2H]- 134.058726 132.1
[M]+ 113.08351142 127.5
[M]- 113.08460858 127.5
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

patents stripe