CID 165604127

1-(3-propyl-3h-diazirin-3-yl)methanaminehydrochloride

Structural Information

Molecular Formula
C5H11N3
SMILES
CCCC1(N=N1)CN
InChI
InChI=1S/C5H11N3/c1-2-3-5(4-6)7-8-5/h2-4,6H2,1H3
InChIKey
JJSZIVZOUDFATQ-UHFFFAOYSA-N
Compound name
(3-propyldiazirin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.0953 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.10258 129.0
[M+Na]+ 136.08452 139.6
[M-H]- 112.08802 131.0
[M+NH4]+ 131.12912 145.8
[M+K]+ 152.05846 137.8
[M+H-H2O]+ 96.092560 122.8
[M+HCOO]- 158.09350 152.6
[M+CH3COO]- 172.10915 174.9
[M+Na-2H]- 134.06997 137.9
[M]+ 113.09475 132.0
[M]- 113.09585 132.0
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.