CID 165948971

3-(3h-diazirin-3-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H9N3
SMILES
C(CC1N=N1)CN
InChI
InChI=1S/C4H9N3/c5-3-1-2-4-6-7-4/h4H,1-3,5H2
InChIKey
GFUHOUFIERYFKT-UHFFFAOYSA-N
Compound name
3-(3H-diazirin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.07965 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.086926 124.7
[M+Na]+ 122.068868 135.1
[M-H]- 98.072374 126.5
[M+NH4]+ 117.113473 140.2
[M+K]+ 138.042808 132.6
[M+H-H2O]+ 82.076910 117.4
[M+HCOO]- 144.077851 149.0
[M+CH3COO]- 158.093501 172.4
[M+Na-2H]- 120.054316 133.1
[M]+ 99.07910142 126.9
[M]- 99.08019858 126.9
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.