CID 55284390

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

Structural Information

Molecular Formula
C5H11N3
SMILES
CC1(N=N1)CCCN
InChI
InChI=1S/C5H11N3/c1-5(7-8-5)3-2-4-6/h2-4,6H2,1H3
InChIKey
NMWJNUYCZYGPMO-UHFFFAOYSA-N
Compound name
3-(3-methyldiazirin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

113.0953 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.102576 129.0
[M+Na]+ 136.084518 139.6
[M-H]- 112.088024 131.0
[M+NH4]+ 131.129123 145.8
[M+K]+ 152.058458 137.8
[M+H-H2O]+ 96.092560 122.8
[M+HCOO]- 158.093501 152.6
[M+CH3COO]- 172.109151 174.9
[M+Na-2H]- 134.069966 137.9
[M]+ 113.09475142 132.0
[M]- 113.09584858 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

patents stripe