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]+ 114.10258 128.8
[M+Na]+ 136.08452 138.8
[M-H]- 112.08802 130.5
[M+NH4]+ 131.12912 143.8
[M+K]+ 152.05846 136.1
[M+H-H2O]+ 96.092560 121.4
[M+HCOO]- 158.09350 152.8
[M+CH3COO]- 172.10915 175.3
[M+Na-2H]- 134.06997 136.8
[M]+ 113.09475 131.4
[M]- 113.09585 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.