CID 155973605

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

Structural Information

Molecular Formula
C4H9N3
SMILES
CCC1(N=N1)CN
InChI
InChI=1S/C4H9N3/c1-2-4(3-5)6-7-4/h2-3,5H2,1H3
InChIKey
FHKPKXJYMFTCQU-UHFFFAOYSA-N
Compound name
(3-ethyldiazirin-3-yl)methanamine
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]+ 100.08693 124.9
[M+Na]+ 122.06887 135.9
[M-H]- 98.072374 127.1
[M+NH4]+ 117.11347 142.3
[M+K]+ 138.04281 134.4
[M+H-H2O]+ 82.076910 118.8
[M+HCOO]- 144.07785 148.8
[M+CH3COO]- 158.09350 172.0
[M+Na-2H]- 120.05432 134.3
[M]+ 99.079101 127.5
[M]- 99.080199 127.5
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.