CID 165951675

4-(3h-diazirin-3-yl)butan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H11N3
SMILES
C(CCN)CC1N=N1
InChI
InChI=1S/C5H11N3/c6-4-2-1-3-5-7-8-5/h5H,1-4,6H2
InChIKey
CNKPVGCXOJXBPR-UHFFFAOYSA-N
Compound name
4-(3H-diazirin-3-yl)butan-1-amine
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]+ 114.102576 128.8
[M+Na]+ 136.084518 138.8
[M-H]- 112.088024 130.5
[M+NH4]+ 131.129123 143.8
[M+K]+ 152.058458 136.1
[M+H-H2O]+ 96.092560 121.4
[M+HCOO]- 158.093501 152.8
[M+CH3COO]- 172.109151 175.3
[M+Na-2H]- 134.069966 136.8
[M]+ 113.09475142 131.4
[M]- 113.09584858 131.4
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.